Molecular Properties | |
SMILES: | Cc1cccc(C(CC(=O)O)NC(=O)c2cncnc2)c1 |
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-66ac689e-41
0.705
MAR-TRE-92684b97-85
0.698
MAR-TRE-66ac689e-97
0.677
MAR-TRE-92684b97-56
0.629
MAR-TRE-e82e6c98-70
0.597
MAR-TRE-9d18ae8c-59
0.587
MAR-TRE-9d18ae8c-21
0.585
MAR-TRE-9d18ae8c-97
0.582
MAR-TRE-a9136c7b-49
0.580
MAR-TRE-66ac689e-18
0.552
MAR-TRE-4f781e27-71
0.542
MAR-TRE-8190bb11-11
0.537
MAR-TRE-66ac689e-92
0.528
MAR-TRE-a9136c7b-71
0.527
MAR-TRE-9d18ae8c-22
0.507
MAR-TRE-92684b97-71
0.500
MAR-TRE-66ac689e-68
0.486
MAR-TRE-e82e6c98-46
0.474
MAR-TRE-9d18ae8c-40
0.472
MAR-TRE-9d18ae8c-19
0.468
MAR-TRE-9d18ae8c-24
0.468
MAR-TRE-e82e6c98-13
0.466
MAR-TRE-92684b97-2
0.462
MAR-TRE-a9136c7b-55
0.459
MAR-TRE-66ac689e-95
0.458
MAR-TRE-799db12b-46
0.452
MAR-TRE-c317dd82-94
0.452
MAR-TRE-66ac689e-80
0.452
MAR-TRE-a9136c7b-59
0.442
MAR-TRE-799db12b-50
0.440
MAR-TRE-9d18ae8c-37
0.440
MAR-TRE-8190bb11-28
0.437
MAR-TRE-66ac689e-93
0.432
MAR-TRE-8190bb11-47
0.431
MAR-TRE-9d18ae8c-64
0.431
MAR-TRE-8190bb11-90
0.430
MAR-TRE-4f781e27-4
0.429
MAR-TRE-4f781e27-56
0.429
MAR-TRE-9d18ae8c-80
0.429
MAR-TRE-9d18ae8c-3
0.427
MAR-TRE-92684b97-77
0.425
MAR-TRE-8190bb11-71
0.423
MAR-TRE-66ac689e-84
0.421
MAR-TRE-9d18ae8c-4
0.418
MAR-TRE-8190bb11-59
0.417
MAR-TRE-92684b97-35
0.417
MAR-TRE-66ac689e-57
0.417
MAR-TRE-92684b97-17
0.417
MAR-TRE-4f781e27-51
0.416
MAR-TRE-66ac689e-79
0.413
MAR-TRE-8190bb11-93
0.412
MAR-TRE-8190bb11-6
0.410
MAR-TRE-66ac689e-62
0.408
MAR-TRE-8190bb11-10
0.408
MAR-TRE-4f781e27-91
0.405
MAR-TRE-be9ff7d2-48
0.403
MAR-TRE-66ac689e-22
0.403
MAR-TRE-799db12b-47
0.400
MAR-TRE-8190bb11-70
0.400
MAR-TRE-799db12b-15
0.397
MAR-TRE-799db12b-80
0.397
MAR-TRE-4f781e27-73
0.397
MAR-TRE-66ac689e-49
0.397
MAR-TRE-8190bb11-48
0.397
MAR-TRE-a9136c7b-58
0.395
MAR-TRE-4f781e27-20
0.395
MAR-TRE-a9136c7b-69
0.395
MAR-TRE-66ac689e-72
0.395
MAR-TRE-799db12b-94
0.395
MAR-TRE-4f781e27-14
0.395
MAR-TRE-a9136c7b-93
0.392
MAR-TRE-92684b97-80
0.392
MAR-TRE-92684b97-68
0.390
MAR-TRE-9d18ae8c-1
0.390
MAR-TRE-4f781e27-45
0.390
MAR-TRE-e82e6c98-30
0.389
MAR-TRE-a9136c7b-46
0.388
MAR-TRE-8190bb11-97
0.387
MAR-TRE-4f781e27-44
0.385
MAR-TRE-799db12b-73
0.385
MAR-TRE-66ac689e-27
0.385
MAR-TRE-92684b97-87
0.384
MAR-TRE-66ac689e-87
0.383
MAR-TRE-9d18ae8c-50
0.383
MAR-TRE-9d18ae8c-67
0.382
MAR-TRE-be9ff7d2-47
0.380
MAR-TRE-9d18ae8c-41
0.380
MAR-TRE-a9136c7b-33
0.377
MAR-TRE-92684b97-12
0.376
MAR-TRE-4f781e27-68
0.375
MAR-TRE-799db12b-95
0.375
MAR-TRE-92684b97-29
0.375
MAR-TRE-9d18ae8c-9
0.373
MAR-TRE-92684b97-51
0.373
MAR-TRE-9d18ae8c-85
0.373
MAR-TRE-66ac689e-98
0.372
MAR-TRE-c317dd82-41
0.371
MAR-TRE-c317dd82-21
0.371
MAR-TRE-9d18ae8c-94
0.370
MAR-TRE-66ac689e-45
0.370