Molecular Properties | |
SMILES: | COc1ccc(C(C)NC(=O)c2cncnc2)cc1C(=O)O |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.41 |
cLogP: | 1.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-13
0.538
MAR-TRE-66ac689e-72
0.529
MAR-TRE-799db12b-73
0.514
MAR-TRE-9d18ae8c-9
0.494
MAR-TRE-799db12b-100
0.493
MAR-TRE-66ac689e-27
0.493
MAR-TRE-799db12b-82
0.487
MAR-TRE-8190bb11-5
0.485
MAR-TRE-799db12b-79
0.479
MAR-TRE-4f781e27-59
0.474
MAR-TRE-799db12b-5
0.473
MAR-TRE-66ac689e-22
0.473
MAR-TRE-a9136c7b-49
0.467
MAR-TRE-66ac689e-3
0.458
MAR-TRE-66ac689e-45
0.455
MAR-TRE-be9ff7d2-64
0.447
MAR-TRE-a9136c7b-70
0.447
MAR-TRE-a9136c7b-19
0.444
MAR-TRE-799db12b-36
0.444
MAR-TRE-799db12b-78
0.443
MAR-TRE-799db12b-45
0.439
MAR-TRE-799db12b-49
0.439
MAR-TRE-66ac689e-18
0.438
MAR-TRE-be9ff7d2-86
0.434
MAR-TRE-66ac689e-57
0.431
MAR-TRE-66ac689e-93
0.427
MAR-TRE-9d18ae8c-62
0.420
MAR-TRE-799db12b-99
0.420
MAR-TRE-92684b97-77
0.419
MAR-TRE-be9ff7d2-3
0.419
MAR-TRE-799db12b-50
0.416
MAR-TRE-9d18ae8c-99
0.416
MAR-TRE-92684b97-32
0.415
MAR-TRE-799db12b-47
0.413
MAR-TRE-8190bb11-67
0.412
MAR-TRE-66ac689e-97
0.410
MAR-TRE-799db12b-46
0.408
MAR-TRE-799db12b-94
0.408
MAR-TRE-a9136c7b-69
0.407
MAR-TRE-9d18ae8c-85
0.405
MAR-TRE-9d18ae8c-59
0.403
MAR-TRE-a9136c7b-98
0.403
MAR-TRE-a9136c7b-59
0.400
MAR-TRE-66ac689e-71
0.397
MAR-TRE-92684b97-56
0.397
MAR-TRE-66ac689e-87
0.395
MAR-TRE-92684b97-71
0.395
MAR-TRE-799db12b-80
0.392
MAR-TRE-66ac689e-66
0.392
MAR-TRE-9d18ae8c-40
0.390
MAR-TRE-799db12b-55
0.390
MAR-TRE-799db12b-31
0.388
MAR-TRE-9d18ae8c-80
0.388
MAR-TRE-92684b97-80
0.387
MAR-TRE-9d18ae8c-21
0.387
MAR-TRE-8190bb11-10
0.385
MAR-TRE-4f781e27-45
0.385
MAR-TRE-66ac689e-58
0.384
MAR-TRE-92684b97-63
0.384
MAR-TRE-8190bb11-54
0.382
MAR-TRE-799db12b-96
0.382
MAR-TRE-8190bb11-72
0.382
MAR-TRE-8190bb11-18
0.381
MAR-TRE-c317dd82-48
0.380
MAR-TRE-66ac689e-95
0.377
MAR-TRE-8190bb11-78
0.377
MAR-TRE-8190bb11-98
0.377
MAR-TRE-4f781e27-20
0.373
MAR-TRE-8190bb11-28
0.373
MAR-TRE-92684b97-35
0.373
MAR-TRE-799db12b-19
0.372
MAR-TRE-66ac689e-80
0.372
MAR-TRE-66ac689e-79
0.372
MAR-TRE-4f781e27-14
0.372
MAR-TRE-e82e6c98-14
0.370
MAR-TRE-4f781e27-56
0.370
MAR-TRE-92684b97-29
0.370
MAR-TRE-e82e6c98-70
0.370
MAR-TRE-799db12b-95
0.370
MAR-TRE-9d18ae8c-87
0.368
MAR-TRE-a9136c7b-8
0.368
MAR-TRE-66ac689e-98
0.367
MAR-TRE-8190bb11-49
0.367
MAR-TRE-c317dd82-41
0.366
MAR-TRE-4f781e27-71
0.366
MAR-TRE-9d18ae8c-60
0.366
MAR-TRE-4f781e27-70
0.365
MAR-TRE-92684b97-1
0.365
MAR-TRE-799db12b-61
0.364
MAR-TRE-92684b97-84
0.361
MAR-TRE-799db12b-28
0.361
MAR-TRE-9d18ae8c-19
0.360
MAR-TRE-4f781e27-9
0.360
MAR-TRE-9d18ae8c-24
0.360
MAR-TRE-8190bb11-71
0.360
MAR-TRE-e82e6c98-77
0.360
MAR-TRE-4f781e27-86
0.359
MAR-TRE-a9136c7b-35
0.357
MAR-TRE-8190bb11-68
0.357
MAR-TRE-92684b97-12
0.356