Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1cc(Cl)cc(Cl)c1 |
MW: | 339.02 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-78
0.576
MAR-TRE-66ac689e-75
0.576
MAR-TRE-66ac689e-14
0.548
MAR-TRE-66ac689e-23
0.548
MAR-TRE-4f781e27-74
0.547
MAR-TRE-8190bb11-36
0.547
MAR-TRE-8190bb11-62
0.524
MAR-TRE-c317dd82-76
0.493
MAR-TRE-8190bb11-92
0.478
MAR-TRE-4f781e27-32
0.477
MAR-TRE-a9136c7b-81
0.471
MAR-TRE-8190bb11-22
0.471
MAR-TRE-66ac689e-70
0.455
MAR-TRE-66ac689e-86
0.433
MAR-TRE-799db12b-41
0.426
MAR-TRE-be9ff7d2-28
0.411
MAR-TRE-92684b97-26
0.386
MAR-TRE-8190bb11-74
0.384
MAR-TRE-e82e6c98-15
0.382
MAR-TRE-e82e6c98-43
0.382
MAR-TRE-e82e6c98-9
0.380
MAR-TRE-be9ff7d2-48
0.377
MAR-TRE-e82e6c98-57
0.371
MAR-TRE-c317dd82-94
0.370
MAR-TRE-799db12b-66
0.370
MAR-TRE-e82e6c98-39
0.366
MAR-TRE-e82e6c98-13
0.365
MAR-TRE-e82e6c98-89
0.361
MAR-TRE-8190bb11-53
0.361
MAR-TRE-8190bb11-58
0.360
MAR-TRE-799db12b-75
0.359
MAR-TRE-be9ff7d2-90
0.357
MAR-TRE-799db12b-90
0.354
MAR-TRE-8190bb11-42
0.352
MAR-TRE-a9136c7b-75
0.352
MAR-TRE-e82e6c98-11
0.351
MAR-TRE-8190bb11-85
0.348
MAR-TRE-8190bb11-57
0.347
MAR-TRE-92684b97-40
0.347
MAR-TRE-c317dd82-82
0.342
MAR-TRE-92684b97-66
0.338
MAR-TRE-a9136c7b-3
0.338
MAR-TRE-799db12b-70
0.338
MAR-TRE-66ac689e-12
0.333
MAR-TRE-4f781e27-72
0.333
MAR-TRE-8190bb11-59
0.333
MAR-TRE-92684b97-83
0.333
MAR-TRE-9d18ae8c-21
0.329
MAR-TRE-a9136c7b-66
0.329
MAR-TRE-a9136c7b-40
0.329
MAR-TRE-92684b97-80
0.329
MAR-TRE-9d18ae8c-73
0.329
MAR-TRE-e82e6c98-88
0.325
MAR-TRE-92684b97-64
0.325
MAR-TRE-66ac689e-63
0.325
MAR-TRE-be9ff7d2-61
0.325
MAR-TRE-799db12b-61
0.324
MAR-TRE-e82e6c98-45
0.324
MAR-TRE-4f781e27-17
0.324
MAR-TRE-e82e6c98-68
0.324
MAR-TRE-c317dd82-41
0.324
MAR-TRE-799db12b-44
0.321
MAR-TRE-c317dd82-55
0.320
MAR-TRE-8190bb11-55
0.320
MAR-TRE-92684b97-78
0.319
MAR-TRE-799db12b-30
0.317
MAR-TRE-66ac689e-92
0.316
MAR-TRE-9d18ae8c-56
0.316
MAR-TRE-9d18ae8c-75
0.316
MAR-TRE-c317dd82-100
0.316
MAR-TRE-a9136c7b-15
0.316
MAR-TRE-66ac689e-16
0.316
MAR-TRE-92684b97-74
0.315
MAR-TRE-9d18ae8c-71
0.315
MAR-TRE-a9136c7b-45
0.313
MAR-TRE-a9136c7b-91
0.312
MAR-TRE-92684b97-20
0.312
MAR-TRE-a9136c7b-28
0.312
MAR-TRE-8190bb11-12
0.312
MAR-TRE-8190bb11-3
0.312
MAR-TRE-8190bb11-49
0.312
MAR-TRE-be9ff7d2-58
0.311
MAR-TRE-9d18ae8c-85
0.311
MAR-TRE-8190bb11-32
0.311
MAR-TRE-4f781e27-50
0.311
MAR-TRE-e82e6c98-63
0.310
MAR-TRE-799db12b-95
0.310
MAR-TRE-8190bb11-24
0.310
MAR-TRE-8190bb11-91
0.310
MAR-TRE-4f781e27-49
0.310
MAR-TRE-9d18ae8c-96
0.309
MAR-TRE-be9ff7d2-67
0.309
MAR-TRE-a9136c7b-55
0.308
MAR-TRE-66ac689e-73
0.308
MAR-TRE-66ac689e-71
0.308
MAR-TRE-c317dd82-73
0.307
MAR-TRE-a9136c7b-48
0.307
MAR-TRE-799db12b-96
0.307
MAR-TRE-92684b97-48
0.307
MAR-TRE-e82e6c98-20
0.307