Molecular Properties | |
SMILES: | O=C(NC(Cc1ncc[nH]1)c1ccccc1)c1cncnc1 |
MW: | 293.13 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.56 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-4
0.652
MAR-TRE-8190bb11-93
0.581
MAR-TRE-8190bb11-11
0.529
MAR-TRE-9d18ae8c-24
0.519
MAR-TRE-8190bb11-90
0.481
MAR-TRE-9d18ae8c-51
0.463
MAR-TRE-e82e6c98-70
0.451
MAR-TRE-9d18ae8c-50
0.450
MAR-TRE-66ac689e-62
0.444
MAR-TRE-9d18ae8c-67
0.434
MAR-TRE-8190bb11-48
0.432
MAR-TRE-66ac689e-49
0.432
MAR-TRE-66ac689e-57
0.432
MAR-TRE-8190bb11-47
0.427
MAR-TRE-9d18ae8c-21
0.427
MAR-TRE-66ac689e-92
0.425
MAR-TRE-9d18ae8c-59
0.425
MAR-TRE-66ac689e-68
0.423
MAR-TRE-66ac689e-41
0.421
MAR-TRE-92684b97-56
0.419
MAR-TRE-4f781e27-44
0.418
MAR-TRE-4f781e27-73
0.413
MAR-TRE-92684b97-86
0.410
MAR-TRE-66ac689e-42
0.410
MAR-TRE-66ac689e-79
0.410
MAR-TRE-8190bb11-56
0.405
MAR-TRE-92684b97-85
0.405
MAR-TRE-66ac689e-18
0.403
MAR-TRE-8190bb11-26
0.402
MAR-TRE-66ac689e-61
0.402
MAR-TRE-be9ff7d2-48
0.400
MAR-TRE-a9136c7b-55
0.400
MAR-TRE-799db12b-50
0.400
MAR-TRE-799db12b-47
0.397
MAR-TRE-66ac689e-95
0.397
MAR-TRE-9d18ae8c-19
0.395
MAR-TRE-66ac689e-97
0.395
MAR-TRE-799db12b-15
0.395
MAR-TRE-8190bb11-28
0.395
MAR-TRE-9d18ae8c-40
0.392
MAR-TRE-66ac689e-80
0.392
MAR-TRE-92684b97-51
0.390
MAR-TRE-4f781e27-91
0.385
MAR-TRE-92684b97-49
0.385
MAR-TRE-9d18ae8c-99
0.383
MAR-TRE-e82e6c98-46
0.381
MAR-TRE-92684b97-71
0.380
MAR-TRE-9d18ae8c-26
0.379
MAR-TRE-4f781e27-51
0.378
MAR-TRE-799db12b-80
0.378
MAR-TRE-8190bb11-59
0.377
MAR-TRE-9d18ae8c-97
0.375
MAR-TRE-799db12b-46
0.375
MAR-TRE-799db12b-94
0.375
MAR-TRE-9d18ae8c-80
0.373
MAR-TRE-8190bb11-91
0.373
MAR-TRE-799db12b-95
0.373
MAR-TRE-92684b97-41
0.372
MAR-TRE-92684b97-15
0.370
MAR-TRE-be9ff7d2-84
0.370
MAR-TRE-66ac689e-81
0.370
MAR-TRE-9d18ae8c-94
0.369
MAR-TRE-4f781e27-71
0.369
MAR-TRE-8190bb11-14
0.369
MAR-TRE-e82e6c98-30
0.368
MAR-TRE-66ac689e-58
0.368
MAR-TRE-92684b97-32
0.368
MAR-TRE-e82e6c98-20
0.367
MAR-TRE-92684b97-18
0.365
MAR-TRE-8190bb11-71
0.364
MAR-TRE-92684b97-87
0.364
MAR-TRE-92684b97-27
0.364
MAR-TRE-799db12b-91
0.364
MAR-TRE-be9ff7d2-9
0.364
MAR-TRE-a9136c7b-49
0.361
MAR-TRE-92684b97-16
0.360
MAR-TRE-a9136c7b-71
0.360
MAR-TRE-a9136c7b-69
0.360
MAR-TRE-be9ff7d2-47
0.360
MAR-TRE-4f781e27-39
0.359
MAR-TRE-92684b97-35
0.359
MAR-TRE-92684b97-17
0.359
MAR-TRE-a9136c7b-33
0.358
MAR-TRE-c317dd82-94
0.358
MAR-TRE-4f781e27-68
0.357
MAR-TRE-a9136c7b-93
0.357
MAR-TRE-92684b97-2
0.356
MAR-TRE-92684b97-98
0.356
MAR-TRE-92684b97-68
0.356
MAR-TRE-e82e6c98-13
0.354
MAR-TRE-a9136c7b-59
0.353
MAR-TRE-9d18ae8c-20
0.352
MAR-TRE-799db12b-61
0.350
MAR-TRE-799db12b-96
0.350
MAR-TRE-66ac689e-85
0.349
MAR-TRE-66ac689e-48
0.349
MAR-TRE-66ac689e-84
0.349
MAR-TRE-be9ff7d2-21
0.349
MAR-TRE-92684b97-50
0.346
MAR-TRE-9d18ae8c-41
0.345