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OHD_TB2020_31
O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F
Formula: C19H14Cl3F2N5O
MW: 472.71 | LogP: 4.79
TPSA: 68.50
Patterns:
KB_HAT_138
CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1
Formula: C18H14F2N6O2S
MW: 416.41 | LogP: 3.52
TPSA: 112.66
Patterns:
Z30002984
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12
Formula: C27H20FN3O4S
MW: 501.54 | LogP: 5.36
TPSA: 101.30
Patterns:
KB_HAT_192
O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)/C(=N/Cc2ccncc2)N1
Formula: C23H24FN7OS
MW: 465.56 | LogP: 2.78
TPSA: 94.87
Patterns:
OHD_TB2021_16
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
Formula: C11H12FIN4O3
MW: 394.14 | LogP: 0.21
TPSA: 106.42
Patterns:
Z166606608
O=C1CCC(=O)N1c1cc(Cc2[nH+]nc(O)c3ccccc23)ccc1F
Formula: C19H15FN3O3+
MW: 352.35 | LogP: 2.14
TPSA: 84.64
Patterns:
Z28652141
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
Formula: C24H14ClFN4O3S2
MW: 524.99 | LogP: 5.68
TPSA: 92.26
Patterns:
KB_chagas_219
FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)nc2ncnn12
Formula: C20H20F3N6+
MW: 401.42 | LogP: 2.59
TPSA: 63.31
Patterns:
OHD_TC1_70
FC(F)(F)c1cccc(/C=C/c2nc3ccccc3n2CNc2cccnc2)c1
Formula: C22H17F3N4
MW: 394.40 | LogP: 5.69
TPSA: 42.74
Patterns:
ulfkktlib_987
CC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)oc2-c2cc3ccccc3cn2)cc1
Formula: C28H18F3NO2
MW: 457.45 | LogP: 8.05
TPSA: 43.10
Patterns:
TC455
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC=C(CF)CO1
Formula: C24H35FO2
MW: 374.54 | LogP: 5.37
TPSA: 29.46
Patterns: