Molecular Properties | |
SMILES: | Cc1cc(C)cc(C(NC(=O)c2cncnc2)c2cccnc2)c1 |
MW: | 318.15 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-77
0.623
MAR-TRE-4f781e27-68
0.623
MAR-TRE-4f781e27-20
0.620
MAR-TRE-a9136c7b-93
0.556
MAR-TRE-92684b97-77
0.493
MAR-TRE-9d18ae8c-57
0.467
MAR-TRE-9d18ae8c-4
0.462
MAR-TRE-9d18ae8c-22
0.456
MAR-TRE-92684b97-86
0.440
MAR-TRE-66ac689e-58
0.437
MAR-TRE-92684b97-85
0.434
MAR-TRE-4f781e27-51
0.423
MAR-TRE-9d18ae8c-41
0.423
MAR-TRE-9d18ae8c-1
0.415
MAR-TRE-4f781e27-29
0.413
MAR-TRE-92684b97-1
0.410
MAR-TRE-be9ff7d2-47
0.408
MAR-TRE-9d18ae8c-67
0.408
MAR-TRE-9d18ae8c-26
0.405
MAR-TRE-66ac689e-93
0.403
MAR-TRE-92684b97-16
0.402
MAR-TRE-799db12b-19
0.400
MAR-TRE-9d18ae8c-3
0.400
MAR-TRE-92684b97-12
0.400
MAR-TRE-9d18ae8c-92
0.393
MAR-TRE-9d18ae8c-99
0.392
MAR-TRE-66ac689e-85
0.392
MAR-TRE-92684b97-18
0.390
MAR-TRE-66ac689e-94
0.388
MAR-TRE-a9136c7b-35
0.386
MAR-TRE-9d18ae8c-97
0.385
MAR-TRE-66ac689e-72
0.385
MAR-TRE-4f781e27-14
0.385
MAR-TRE-a9136c7b-26
0.384
MAR-TRE-66ac689e-64
0.383
MAR-TRE-66ac689e-56
0.383
MAR-TRE-8190bb11-89
0.383
MAR-TRE-4f781e27-45
0.380
MAR-TRE-92684b97-15
0.380
MAR-TRE-66ac689e-68
0.380
MAR-TRE-66ac689e-45
0.378
MAR-TRE-66ac689e-41
0.377
MAR-TRE-92684b97-32
0.376
MAR-TRE-799db12b-73
0.375
MAR-TRE-66ac689e-84
0.375
MAR-TRE-a9136c7b-82
0.373
MAR-TRE-799db12b-28
0.373
MAR-TRE-8190bb11-71
0.373
MAR-TRE-92684b97-56
0.373
MAR-TRE-c317dd82-24
0.370
MAR-TRE-66ac689e-97
0.370
MAR-TRE-799db12b-58
0.369
MAR-TRE-66ac689e-36
0.369
MAR-TRE-8190bb11-59
0.368
MAR-TRE-8190bb11-28
0.368
MAR-TRE-92684b97-17
0.368
MAR-TRE-92684b97-35
0.368
MAR-TRE-799db12b-55
0.367
MAR-TRE-66ac689e-42
0.367
MAR-TRE-799db12b-31
0.366
MAR-TRE-92684b97-80
0.364
MAR-TRE-9d18ae8c-64
0.364
MAR-TRE-8190bb11-11
0.364
MAR-TRE-8190bb11-56
0.362
MAR-TRE-66ac689e-100
0.362
MAR-TRE-8190bb11-10
0.362
MAR-TRE-be9ff7d2-6
0.362
MAR-TRE-a9136c7b-62
0.361
MAR-TRE-4f781e27-71
0.361
MAR-TRE-799db12b-85
0.360
MAR-TRE-e82e6c98-30
0.360
MAR-TRE-66ac689e-22
0.358
MAR-TRE-66ac689e-27
0.358
MAR-TRE-8190bb11-67
0.357
MAR-TRE-c317dd82-97
0.357
MAR-TRE-92684b97-84
0.357
MAR-TRE-e82e6c98-46
0.357
MAR-TRE-799db12b-36
0.356
MAR-TRE-9d18ae8c-19
0.356
MAR-TRE-92684b97-87
0.355
MAR-TRE-e82e6c98-100
0.354
MAR-TRE-4f781e27-40
0.354
MAR-TRE-4f781e27-86
0.354
MAR-TRE-92684b97-71
0.354
MAR-TRE-a9136c7b-49
0.354
MAR-TRE-66ac689e-82
0.354
MAR-TRE-a9136c7b-21
0.352
MAR-TRE-8190bb11-48
0.351
MAR-TRE-9d18ae8c-80
0.349
MAR-TRE-e82e6c98-31
0.349
MAR-TRE-c317dd82-42
0.349
MAR-TRE-4f781e27-56
0.349
MAR-TRE-66ac689e-92
0.349
MAR-TRE-9d18ae8c-9
0.349
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-9d18ae8c-87
0.346
MAR-TRE-92684b97-51
0.346
MAR-TRE-66ac689e-98
0.346
MAR-TRE-799db12b-79
0.346
MAR-TRE-9d18ae8c-60
0.345