Provides constants for the specification of pharmacophore feature types with extensions for H-bond acceptors and donors.
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int | UNKNOWN = 0 |
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int | HYDROPHOBIC = 1 |
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int | AROMATIC = 2 |
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int | NEGATIVE_IONIZABLE = 3 |
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int | POSITIVE_IONIZABLE = 4 |
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int | H_BOND_DONOR = 5 |
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int | H_BOND_ACCEPTOR = 6 |
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int | HALOGEN_BOND_DONOR = 7 |
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int | HALOGEN_BOND_ACCEPTOR = 8 |
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int | EXCLUSION_VOLUME = 9 |
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int | MAX_TYPE = 9 |
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int | H_BOND_DONOR_N = 10 |
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int | H_BOND_DONOR_N3 = 11 |
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int | H_BOND_DONOR_N2 = 12 |
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int | H_BOND_DONOR_Nar = 13 |
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int | H_BOND_DONOR_Nam = 14 |
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int | H_BOND_DONOR_Npl3 = 15 |
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int | H_BOND_DONOR_N4 = 16 |
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int | H_BOND_DONOR_O = 17 |
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int | H_BOND_DONOR_O3 = 18 |
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int | H_BOND_DONOR_S = 19 |
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int | H_BOND_DONOR_S3 = 20 |
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int | H_BOND_ACCEPTOR_N = 21 |
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int | H_BOND_ACCEPTOR_N3 = 22 |
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int | H_BOND_ACCEPTOR_N2 = 23 |
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int | H_BOND_ACCEPTOR_N1 = 24 |
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int | H_BOND_ACCEPTOR_Nar = 25 |
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int | H_BOND_ACCEPTOR_Npl3 = 26 |
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int | H_BOND_ACCEPTOR_O = 27 |
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int | H_BOND_ACCEPTOR_O3 = 28 |
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int | H_BOND_ACCEPTOR_O2 = 29 |
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int | H_BOND_ACCEPTOR_Oco2 = 30 |
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int | H_BOND_ACCEPTOR_S = 31 |
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int | H_BOND_ACCEPTOR_S3 = 32 |
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int | H_BOND_ACCEPTOR_S2 = 33 |
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int | MAX_EXT_TYPE = 33 |
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Provides constants for the specification of pharmacophore feature types with extensions for H-bond acceptors and donors.
Inheritance diagram for CDPL.GRAIL.FeatureType:
1.8.20