Molecular Properties | |
SMILES: | Cn1ccn2c(CNC(=O)c3cncnc3)nnc2c1=O |
MW: | 285.1 |
Fraction sp3: | 0.17 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 107.07 |
cLogP: | -0.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
WIL-UNI-d4749f31-16
0.541
MAR-TRE-be9ff7d2-92
0.506
MAR-TRE-e82e6c98-60
0.500
MAR-TRE-e82e6c98-85
0.476
MAR-TRE-be9ff7d2-89
0.462
MAR-TRE-8190bb11-73
0.456
MAR-TRE-4f781e27-65
0.450
MAR-TRE-e82e6c98-8
0.438
MAR-TRE-c317dd82-83
0.407
WIL-UNI-2a57d06c-43
0.402
MAR-TRE-e82e6c98-12
0.400
MAR-TRE-66ac689e-26
0.400
MAR-TRE-c317dd82-74
0.388
MAR-TRE-e82e6c98-97
0.388
MAR-TRE-e82e6c98-5
0.381
MAR-TRE-c317dd82-55
0.375
MAR-TRE-66ac689e-47
0.372
MAR-TRE-be9ff7d2-67
0.370
MAR-TRE-66ac689e-21
0.369
MAR-TRE-8190bb11-82
0.366
MAR-TRE-66ac689e-29
0.365
MAR-TRE-e82e6c98-68
0.364
MAR-TRE-a9136c7b-23
0.363
MAR-TRE-e82e6c98-35
0.361
MAR-TRE-be9ff7d2-18
0.361
MAR-TRE-799db12b-64
0.360
MAR-TRE-e82e6c98-47
0.359
MAR-TRE-be9ff7d2-90
0.359
MAR-TRE-e82e6c98-22
0.358
MAR-TRE-66ac689e-20
0.357
MAR-TRE-c317dd82-11
0.356
MAR-TRE-e82e6c98-26
0.354
MAR-TRE-be9ff7d2-11
0.354
MAR-TRE-e82e6c98-57
0.354
MAR-TRE-e82e6c98-16
0.354
MAR-TRE-a9136c7b-54
0.354
MAR-TRE-799db12b-89
0.353
MAR-TRE-be9ff7d2-99
0.352
MAR-TRE-a9136c7b-17
0.352
MAR-TRE-8190bb11-64
0.352
MAR-TRE-8190bb11-24
0.351
MAR-TRE-8190bb11-85
0.351
MAR-TRE-8190bb11-81
0.349
MAR-TRE-799db12b-52
0.349
MAR-TRE-8190bb11-46
0.349
MAR-TRE-8190bb11-8
0.348
MAR-TRE-8190bb11-50
0.346
MAR-TRE-8190bb11-33
0.345
MAR-TRE-a9136c7b-100
0.345
MAR-TRE-8190bb11-27
0.344
MAR-TRE-92684b97-78
0.342
MAR-TRE-8190bb11-13
0.342
MAR-TRE-e82e6c98-91
0.341
MAR-TRE-a9136c7b-24
0.341
MAR-TRE-9d18ae8c-84
0.341
MAR-TRE-799db12b-72
0.341
MAR-TRE-e82e6c98-6
0.341
MAR-TRE-a9136c7b-80
0.341
MAR-TRE-c317dd82-22
0.340
MAR-TRE-c317dd82-75
0.340
MAR-TRE-92684b97-74
0.338
MAR-TRE-8190bb11-42
0.338
MAR-TRE-c317dd82-92
0.337
MAR-TRE-66ac689e-12
0.337
MAR-TRE-4f781e27-28
0.337
MAR-TRE-4f781e27-7
0.337
MAR-TRE-e82e6c98-93
0.337
MAR-TRE-66ac689e-91
0.337
MAR-TRE-be9ff7d2-77
0.337
MAR-TRE-e82e6c98-82
0.337
MAR-TRE-be9ff7d2-96
0.333
MAR-TRE-799db12b-7
0.333
MAR-TRE-799db12b-35
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-8190bb11-96
0.333
MAR-TRE-4f781e27-99
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-a9136c7b-31
0.330
MAR-TRE-e82e6c98-37
0.330
MAR-TRE-799db12b-98
0.330
MAR-TRE-4f781e27-75
0.330
MAR-TRE-be9ff7d2-82
0.330
MAR-TRE-799db12b-59
0.330
MAR-TRE-be9ff7d2-60
0.330
MAR-TRE-799db12b-24
0.330
MAR-TRE-66ac689e-73
0.329
MAR-TRE-4f781e27-58
0.329
MAR-TRE-be9ff7d2-1
0.329
MAR-TRE-66ac689e-69
0.326
MAR-TRE-4f781e27-48
0.326
MAR-TRE-9d18ae8c-55
0.326
MAR-TRE-799db12b-44
0.326
MAR-TRE-4f781e27-92
0.326
MAR-TRE-be9ff7d2-43
0.325
MAR-TRE-92684b97-11
0.325
MAR-TRE-c317dd82-49
0.323
MAR-TRE-c317dd82-51
0.323
MAR-TRE-799db12b-16
0.322
MAR-TRE-92684b97-53
0.322
MAR-TRE-8190bb11-86
0.322