Molecular Properties | |
SMILES: | CCc1ccc(C(CC)(NC(=O)c2cncnc2)C(=O)O)cc1 |
MW: | 313.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.18 |
cLogP: | 2.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-85
0.433
MAR-TRE-4f781e27-78
0.433
MAR-TRE-66ac689e-75
0.433
MAR-TRE-9d18ae8c-87
0.429
MAR-TRE-66ac689e-14
0.414
MAR-TRE-66ac689e-23
0.414
MAR-TRE-8190bb11-74
0.405
MAR-TRE-8190bb11-36
0.397
MAR-TRE-4f781e27-32
0.394
MAR-TRE-66ac689e-70
0.394
MAR-TRE-799db12b-66
0.392
MAR-TRE-be9ff7d2-65
0.386
MAR-TRE-e82e6c98-9
0.384
MAR-TRE-4f781e27-74
0.378
MAR-TRE-66ac689e-86
0.375
MAR-TRE-8190bb11-62
0.375
MAR-TRE-8190bb11-22
0.373
MAR-TRE-c317dd82-76
0.373
MAR-TRE-799db12b-41
0.370
MAR-TRE-799db12b-75
0.362
MAR-TRE-92684b97-78
0.362
MAR-TRE-8190bb11-13
0.361
MAR-TRE-a9136c7b-81
0.355
MAR-TRE-9d18ae8c-1
0.354
MAR-TRE-8190bb11-24
0.352
MAR-TRE-e82e6c98-39
0.351
MAR-TRE-9d18ae8c-21
0.351
MAR-TRE-4f781e27-25
0.351
MAR-TRE-8190bb11-49
0.351
MAR-TRE-8190bb11-58
0.346
MAR-TRE-8190bb11-92
0.346
MAR-TRE-92684b97-11
0.342
MAR-TRE-799db12b-90
0.341
MAR-TRE-e82e6c98-11
0.338
MAR-TRE-92684b97-83
0.338
MAR-TRE-799db12b-35
0.333
MAR-TRE-66ac689e-26
0.333
MAR-TRE-4f781e27-99
0.333
MAR-TRE-9d18ae8c-58
0.333
MAR-TRE-92684b97-40
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-4f781e27-36
0.329
MAR-TRE-92684b97-75
0.329
MAR-TRE-e82e6c98-89
0.329
MAR-TRE-c317dd82-82
0.329
MAR-TRE-e82e6c98-15
0.329
MAR-TRE-9d18ae8c-95
0.329
MAR-TRE-a9136c7b-24
0.325
MAR-TRE-799db12b-70
0.325
MAR-TRE-66ac689e-20
0.325
MAR-TRE-be9ff7d2-28
0.325
MAR-TRE-92684b97-72
0.325
MAR-TRE-92684b97-66
0.324
MAR-TRE-66ac689e-21
0.321
MAR-TRE-4f781e27-56
0.321
MAR-TRE-92684b97-91
0.321
MAR-TRE-9d18ae8c-40
0.321
MAR-TRE-a9136c7b-54
0.321
MAR-TRE-66ac689e-12
0.321
MAR-TRE-8190bb11-42
0.320
MAR-TRE-9d18ae8c-11
0.318
MAR-TRE-a9136c7b-45
0.318
MAR-TRE-799db12b-38
0.316
MAR-TRE-66ac689e-51
0.316
MAR-TRE-92684b97-51
0.316
MAR-TRE-be9ff7d2-58
0.316
MAR-TRE-66ac689e-88
0.316
MAR-TRE-92684b97-41
0.316
MAR-TRE-9d18ae8c-85
0.316
MAR-TRE-e82e6c98-70
0.315
MAR-TRE-9d18ae8c-96
0.314
MAR-TRE-66ac689e-37
0.312
MAR-TRE-8190bb11-50
0.312
MAR-TRE-8190bb11-97
0.312
MAR-TRE-4f781e27-42
0.312
MAR-TRE-be9ff7d2-94
0.311
MAR-TRE-e82e6c98-30
0.311
MAR-TRE-9d18ae8c-59
0.311
MAR-TRE-e82e6c98-68
0.311
MAR-TRE-9d18ae8c-76
0.311
MAR-TRE-799db12b-6
0.310
MAR-TRE-c317dd82-21
0.310
MAR-TRE-9d18ae8c-32
0.310
MAR-TRE-799db12b-44
0.309
MAR-TRE-4f781e27-92
0.309
MAR-TRE-92684b97-47
0.309
MAR-TRE-9d18ae8c-53
0.309
MAR-TRE-8190bb11-55
0.308
MAR-TRE-799db12b-84
0.308
MAR-TRE-92684b97-88
0.308
MAR-TRE-be9ff7d2-16
0.308
MAR-TRE-be9ff7d2-90
0.307
MAR-TRE-4f781e27-46
0.307
MAR-TRE-4f781e27-85
0.307
MAR-TRE-92684b97-56
0.307
MAR-TRE-92684b97-92
0.306
MAR-TRE-c317dd82-68
0.306
MAR-TRE-8190bb11-73
0.305
MAR-TRE-8190bb11-87
0.305
MAR-TRE-9d18ae8c-6
0.305