Molecular Properties | |
SMILES: | Cc1cccc(C(NC(=O)c2cncnc2)c2ccccn2)c1 |
MW: | 304.13 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-18
0.725
MAR-TRE-92684b97-16
0.714
MAR-TRE-92684b97-12
0.699
MAR-TRE-9d18ae8c-41
0.681
MAR-TRE-9d18ae8c-67
0.672
MAR-TRE-92684b97-15
0.629
MAR-TRE-92684b97-84
0.526
MAR-TRE-92684b97-86
0.507
MAR-TRE-92684b97-85
0.500
MAR-TRE-92684b97-77
0.461
MAR-TRE-9d18ae8c-3
0.459
MAR-TRE-9d18ae8c-37
0.456
MAR-TRE-9d18ae8c-4
0.451
MAR-TRE-4f781e27-44
0.438
MAR-TRE-4f781e27-20
0.429
MAR-TRE-799db12b-19
0.425
MAR-TRE-9d18ae8c-50
0.417
MAR-TRE-4f781e27-51
0.415
MAR-TRE-9d18ae8c-1
0.407
MAR-TRE-66ac689e-84
0.402
MAR-TRE-92684b97-1
0.402
MAR-TRE-be9ff7d2-47
0.400
MAR-TRE-9d18ae8c-26
0.398
MAR-TRE-8190bb11-28
0.397
MAR-TRE-a9136c7b-35
0.395
MAR-TRE-4f781e27-68
0.393
MAR-TRE-66ac689e-100
0.390
MAR-TRE-66ac689e-58
0.390
MAR-TRE-66ac689e-41
0.388
MAR-TRE-92684b97-32
0.386
MAR-TRE-9d18ae8c-92
0.386
MAR-TRE-66ac689e-85
0.386
MAR-TRE-9d18ae8c-99
0.386
MAR-TRE-8190bb11-71
0.385
MAR-TRE-66ac689e-82
0.381
MAR-TRE-66ac689e-42
0.378
MAR-TRE-66ac689e-93
0.378
MAR-TRE-9d18ae8c-97
0.378
MAR-TRE-4f781e27-14
0.378
MAR-TRE-a9136c7b-26
0.378
MAR-TRE-a9136c7b-93
0.376
MAR-TRE-66ac689e-56
0.376
MAR-TRE-8190bb11-89
0.376
MAR-TRE-9d18ae8c-80
0.376
MAR-TRE-a9136c7b-77
0.376
MAR-TRE-be9ff7d2-6
0.373
MAR-TRE-66ac689e-68
0.373
MAR-TRE-4f781e27-45
0.373
MAR-TRE-799db12b-73
0.369
MAR-TRE-799db12b-28
0.368
MAR-TRE-92684b97-56
0.367
MAR-TRE-c317dd82-24
0.365
MAR-TRE-66ac689e-97
0.365
MAR-TRE-66ac689e-94
0.365
MAR-TRE-799db12b-58
0.364
MAR-TRE-66ac689e-36
0.364
MAR-TRE-9d18ae8c-51
0.364
MAR-TRE-92684b97-17
0.362
MAR-TRE-92684b97-35
0.362
MAR-TRE-8190bb11-59
0.362
MAR-TRE-66ac689e-72
0.361
MAR-TRE-66ac689e-64
0.360
MAR-TRE-66ac689e-92
0.360
MAR-TRE-e82e6c98-70
0.359
MAR-TRE-8190bb11-11
0.358
MAR-TRE-8190bb11-10
0.357
MAR-TRE-66ac689e-45
0.356
MAR-TRE-799db12b-85
0.356
MAR-TRE-e82e6c98-30
0.354
MAR-TRE-66ac689e-22
0.353
MAR-TRE-66ac689e-27
0.353
MAR-TRE-92684b97-5
0.352
MAR-TRE-4f781e27-9
0.352
MAR-TRE-a9136c7b-49
0.349
MAR-TRE-8190bb11-93
0.348
MAR-TRE-a9136c7b-21
0.347
MAR-TRE-8190bb11-48
0.346
MAR-TRE-c317dd82-42
0.345
MAR-TRE-8190bb11-6
0.345
MAR-TRE-4f781e27-4
0.345
MAR-TRE-799db12b-31
0.345
MAR-TRE-9d18ae8c-9
0.344
MAR-TRE-92684b97-80
0.341
MAR-TRE-9d18ae8c-85
0.341
MAR-TRE-92684b97-51
0.341
MAR-TRE-9d18ae8c-21
0.341
MAR-TRE-9d18ae8c-64
0.341
MAR-TRE-66ac689e-81
0.341
MAR-TRE-4f781e27-71
0.341
MAR-TRE-9d18ae8c-60
0.341
MAR-TRE-a9136c7b-52
0.341
MAR-TRE-c317dd82-41
0.338
MAR-TRE-9d18ae8c-59
0.338
MAR-TRE-66ac689e-62
0.338
MAR-TRE-799db12b-61
0.337
MAR-TRE-4f781e27-29
0.337
MAR-TRE-9d18ae8c-57
0.337
MAR-TRE-e82e6c98-46
0.337
MAR-TRE-8190bb11-67
0.337
MAR-TRE-9d18ae8c-17
0.337