Molecular Properties | |
SMILES: | O=C(NC(Cc1ccccn1)c1ccccn1)c1cncnc1 |
MW: | 305.13 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.66 |
cLogP: | 1.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-51
0.620
MAR-TRE-9d18ae8c-50
0.583
MAR-TRE-9d18ae8c-67
0.486
MAR-TRE-92684b97-15
0.473
MAR-TRE-92684b97-84
0.462
MAR-TRE-9d18ae8c-41
0.461
MAR-TRE-92684b97-16
0.456
MAR-TRE-92684b97-18
0.443
MAR-TRE-e82e6c98-70
0.443
MAR-TRE-9d18ae8c-22
0.438
MAR-TRE-4f781e27-4
0.418
MAR-TRE-8190bb11-6
0.418
MAR-TRE-92684b97-12
0.417
MAR-TRE-66ac689e-41
0.413
MAR-TRE-4f781e27-91
0.413
MAR-TRE-8190bb11-93
0.402
MAR-TRE-8190bb11-11
0.400
MAR-TRE-66ac689e-62
0.397
MAR-TRE-9d18ae8c-59
0.397
MAR-TRE-9d18ae8c-94
0.395
MAR-TRE-92684b97-56
0.392
MAR-TRE-a9136c7b-49
0.388
MAR-TRE-66ac689e-49
0.387
MAR-TRE-4f781e27-73
0.387
MAR-TRE-9d18ae8c-97
0.385
MAR-TRE-a9136c7b-33
0.385
MAR-TRE-92684b97-86
0.385
MAR-TRE-66ac689e-92
0.383
MAR-TRE-92684b97-51
0.382
MAR-TRE-9d18ae8c-21
0.382
MAR-TRE-92684b97-85
0.380
MAR-TRE-66ac689e-68
0.380
MAR-TRE-e82e6c98-20
0.377
MAR-TRE-66ac689e-18
0.377
MAR-TRE-e82e6c98-46
0.373
MAR-TRE-66ac689e-87
0.373
MAR-TRE-be9ff7d2-48
0.373
MAR-TRE-92684b97-87
0.373
MAR-TRE-799db12b-47
0.372
MAR-TRE-66ac689e-97
0.370
MAR-TRE-66ac689e-57
0.368
MAR-TRE-8190bb11-48
0.368
MAR-TRE-92684b97-68
0.365
MAR-TRE-8190bb11-47
0.364
MAR-TRE-be9ff7d2-6
0.362
MAR-TRE-be9ff7d2-84
0.362
MAR-TRE-66ac689e-81
0.362
MAR-TRE-e82e6c98-30
0.360
MAR-TRE-9d18ae8c-20
0.360
MAR-TRE-a9136c7b-55
0.358
MAR-TRE-799db12b-50
0.358
MAR-TRE-66ac689e-84
0.358
MAR-TRE-9d18ae8c-24
0.356
MAR-TRE-8190bb11-71
0.355
MAR-TRE-92684b97-71
0.354
MAR-TRE-66ac689e-95
0.354
MAR-TRE-799db12b-15
0.354
MAR-TRE-8190bb11-90
0.353
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-4f781e27-39
0.351
MAR-TRE-799db12b-94
0.350
MAR-TRE-66ac689e-80
0.350
MAR-TRE-9d18ae8c-40
0.350
MAR-TRE-799db12b-46
0.350
MAR-TRE-66ac689e-79
0.350
MAR-TRE-c317dd82-42
0.349
MAR-TRE-92684b97-2
0.349
MAR-TRE-92684b97-98
0.349
MAR-TRE-8190bb11-91
0.347
MAR-TRE-92684b97-99
0.346
MAR-TRE-4f781e27-71
0.345
MAR-TRE-92684b97-93
0.345
MAR-TRE-66ac689e-58
0.342
MAR-TRE-8190bb11-97
0.342
MAR-TRE-4f781e27-24
0.342
MAR-TRE-4f781e27-29
0.342
MAR-TRE-66ac689e-48
0.341
MAR-TRE-be9ff7d2-9
0.341
MAR-TRE-9d18ae8c-19
0.341
MAR-TRE-92684b97-50
0.338
MAR-TRE-92684b97-27
0.338
MAR-TRE-799db12b-91
0.338
MAR-TRE-8190bb11-98
0.338
MAR-TRE-799db12b-80
0.337
MAR-TRE-a9136c7b-58
0.337
MAR-TRE-a9136c7b-71
0.337
MAR-TRE-4f781e27-56
0.333
MAR-TRE-c317dd82-94
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-8190bb11-28
0.333
MAR-TRE-92684b97-49
0.333
MAR-TRE-a9136c7b-59
0.329
MAR-TRE-a9136c7b-46
0.329
MAR-TRE-e82e6c98-13
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-799db12b-95
0.329
MAR-TRE-9d18ae8c-46
0.326
MAR-TRE-92684b97-5
0.326
MAR-TRE-8190bb11-70
0.326
MAR-TRE-a9136c7b-82
0.326