Molecular Properties | |
SMILES: | Cc1ccc(C(CC(=O)O)NC(=O)c2cncnc2)cc1 |
MW: | 285.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.18 |
cLogP: | 1.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-59
0.759
MAR-TRE-92684b97-71
0.754
MAR-TRE-9d18ae8c-21
0.719
MAR-TRE-66ac689e-18
0.707
MAR-TRE-e82e6c98-70
0.679
MAR-TRE-92684b97-86
0.629
MAR-TRE-a9136c7b-49
0.576
MAR-TRE-66ac689e-41
0.571
MAR-TRE-66ac689e-95
0.562
MAR-TRE-8190bb11-11
0.556
MAR-TRE-66ac689e-80
0.554
MAR-TRE-9d18ae8c-40
0.554
MAR-TRE-799db12b-46
0.554
MAR-TRE-66ac689e-97
0.552
MAR-TRE-a9136c7b-71
0.543
MAR-TRE-9d18ae8c-97
0.530
MAR-TRE-799db12b-50
0.515
MAR-TRE-a9136c7b-59
0.514
MAR-TRE-66ac689e-62
0.508
MAR-TRE-e82e6c98-13
0.500
MAR-TRE-799db12b-47
0.493
MAR-TRE-66ac689e-49
0.492
MAR-TRE-66ac689e-57
0.492
MAR-TRE-4f781e27-73
0.492
MAR-TRE-9d18ae8c-41
0.486
MAR-TRE-66ac689e-79
0.485
MAR-TRE-8190bb11-47
0.485
MAR-TRE-e82e6c98-46
0.466
MAR-TRE-799db12b-80
0.465
MAR-TRE-c317dd82-94
0.464
MAR-TRE-799db12b-94
0.464
MAR-TRE-92684b97-85
0.457
MAR-TRE-92684b97-2
0.453
MAR-TRE-4f781e27-71
0.452
MAR-TRE-a9136c7b-55
0.451
MAR-TRE-9d18ae8c-4
0.446
MAR-TRE-4f781e27-4
0.438
MAR-TRE-92684b97-87
0.433
MAR-TRE-a9136c7b-58
0.421
MAR-TRE-a9136c7b-69
0.421
MAR-TRE-8190bb11-93
0.421
MAR-TRE-92684b97-80
0.420
MAR-TRE-66ac689e-92
0.419
MAR-TRE-8190bb11-6
0.419
MAR-TRE-e82e6c98-30
0.418
MAR-TRE-4f781e27-91
0.414
MAR-TRE-be9ff7d2-48
0.412
MAR-TRE-be9ff7d2-47
0.409
MAR-TRE-e82e6c98-100
0.408
MAR-TRE-799db12b-15
0.405
MAR-TRE-9d18ae8c-24
0.405
MAR-TRE-9d18ae8c-51
0.403
MAR-TRE-8190bb11-90
0.403
MAR-TRE-c317dd82-21
0.400
MAR-TRE-9d18ae8c-85
0.400
MAR-TRE-9d18ae8c-64
0.400
MAR-TRE-9d18ae8c-87
0.400
MAR-TRE-799db12b-32
0.397
MAR-TRE-66ac689e-68
0.397
MAR-TRE-4f781e27-70
0.397
MAR-TRE-8190bb11-5
0.397
MAR-TRE-a9136c7b-46
0.395
MAR-TRE-8190bb11-72
0.394
MAR-TRE-8190bb11-97
0.394
MAR-TRE-4f781e27-24
0.394
MAR-TRE-8190bb11-54
0.394
MAR-TRE-4f781e27-44
0.392
MAR-TRE-92684b97-27
0.391
MAR-TRE-9d18ae8c-50
0.390
MAR-TRE-4f781e27-51
0.387
MAR-TRE-66ac689e-94
0.387
MAR-TRE-4f781e27-39
0.386
MAR-TRE-8190bb11-48
0.386
MAR-TRE-a9136c7b-33
0.384
MAR-TRE-66ac689e-64
0.382
MAR-TRE-9d18ae8c-80
0.382
MAR-TRE-92684b97-68
0.380
MAR-TRE-c317dd82-41
0.379
MAR-TRE-799db12b-79
0.378
MAR-TRE-be9ff7d2-84
0.378
MAR-TRE-92684b97-63
0.377
MAR-TRE-66ac689e-58
0.377
MAR-TRE-a9136c7b-62
0.377
MAR-TRE-799db12b-96
0.375
MAR-TRE-799db12b-61
0.375
MAR-TRE-66ac689e-3
0.375
MAR-TRE-66ac689e-84
0.373
MAR-TRE-9d18ae8c-37
0.373
MAR-TRE-66ac689e-87
0.372
MAR-TRE-8190bb11-71
0.371
MAR-TRE-9d18ae8c-19
0.370
MAR-TRE-4f781e27-40
0.370
MAR-TRE-9d18ae8c-67
0.370
MAR-TRE-be9ff7d2-97
0.368
MAR-TRE-799db12b-78
0.367
MAR-TRE-9d18ae8c-22
0.367
MAR-TRE-8190bb11-59
0.366
MAR-TRE-8190bb11-28
0.366
MAR-TRE-92684b97-35
0.366
MAR-TRE-92684b97-17
0.366