Molecular Properties | |
SMILES: | COC(=O)C(C)(NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |
MW: | 353.03 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-66ac689e-86
0.619
MAR-TRE-799db12b-41
0.609
MAR-TRE-66ac689e-70
0.500
MAR-TRE-be9ff7d2-28
0.493
MAR-TRE-66ac689e-23
0.478
MAR-TRE-be9ff7d2-65
0.471
MAR-TRE-8190bb11-62
0.457
MAR-TRE-4f781e27-78
0.456
MAR-TRE-66ac689e-75
0.456
MAR-TRE-8190bb11-36
0.438
MAR-TRE-4f781e27-74
0.438
MAR-TRE-66ac689e-14
0.437
MAR-TRE-c317dd82-76
0.413
MAR-TRE-8190bb11-74
0.408
MAR-TRE-e82e6c98-9
0.405
MAR-TRE-8190bb11-92
0.403
MAR-TRE-4f781e27-32
0.397
MAR-TRE-799db12b-66
0.395
MAR-TRE-66ac689e-12
0.395
MAR-TRE-8190bb11-22
0.395
MAR-TRE-8190bb11-58
0.385
MAR-TRE-be9ff7d2-90
0.384
MAR-TRE-8190bb11-85
0.375
MAR-TRE-8190bb11-53
0.368
MAR-TRE-a9136c7b-55
0.367
MAR-TRE-799db12b-75
0.366
MAR-TRE-92684b97-11
0.364
MAR-TRE-799db12b-44
0.362
MAR-TRE-799db12b-90
0.361
MAR-TRE-9d18ae8c-85
0.355
MAR-TRE-92684b97-26
0.355
MAR-TRE-e82e6c98-39
0.355
MAR-TRE-a9136c7b-91
0.354
MAR-TRE-66ac689e-73
0.350
MAR-TRE-66ac689e-63
0.350
MAR-TRE-a9136c7b-70
0.346
MAR-TRE-66ac689e-16
0.342
MAR-TRE-9d18ae8c-40
0.342
MAR-TRE-a9136c7b-95
0.341
MAR-TRE-92684b97-80
0.338
MAR-TRE-e82e6c98-58
0.333
MAR-TRE-e82e6c98-89
0.333
MAR-TRE-799db12b-73
0.333
MAR-TRE-799db12b-96
0.333
MAR-TRE-e82e6c98-15
0.333
MAT-POS-e9e99895-11
0.330
MAR-TRE-9d18ae8c-49
0.330
MAR-TRE-8190bb11-13
0.329
MAT-POS-fce787c2-9
0.326
MAR-TRE-92684b97-82
0.325
MAR-TRE-66ac689e-72
0.325
MAR-TRE-66ac689e-80
0.325
MAR-TRE-8190bb11-84
0.325
MAR-TRE-92684b97-83
0.325
MAR-TRE-c317dd82-100
0.325
MAR-TRE-e82e6c98-11
0.325
MAR-TRE-66ac689e-79
0.325
MAR-TRE-9d18ae8c-11
0.322
MAR-TRE-92684b97-32
0.322
MAR-TRE-8190bb11-49
0.321
MAR-TRE-a9136c7b-28
0.321
MAR-TRE-8190bb11-32
0.321
MAR-TRE-8190bb11-57
0.321
MAR-TRE-92684b97-40
0.321
MAR-TRE-a9136c7b-66
0.321
MAR-TRE-9d18ae8c-21
0.321
MAR-TRE-8190bb11-24
0.320
MAR-TRE-c317dd82-14
0.318
MAR-TRE-799db12b-33
0.318
MAR-TRE-be9ff7d2-86
0.317
MAR-TRE-8190bb11-54
0.316
MAR-TRE-92684b97-48
0.316
MAR-TRE-a9136c7b-48
0.316
MAR-TRE-799db12b-61
0.316
MAR-TRE-c317dd82-82
0.316
MAR-TRE-9d18ae8c-59
0.316
MAR-TRE-4f781e27-18
0.314
MAR-TRE-66ac689e-82
0.313
MAR-TRE-8190bb11-95
0.313
MAR-TRE-be9ff7d2-97
0.313
MAR-TRE-799db12b-15
0.313
MAR-TRE-8190bb11-78
0.312
MAT-POS-e9e99895-10
0.312
MAR-TRE-8190bb11-88
0.310
MAR-TRE-4f781e27-56
0.310
MAR-TRE-799db12b-16
0.310
MAR-TRE-4f781e27-14
0.309
MAR-TRE-c317dd82-94
0.309
MAR-TRE-be9ff7d2-17
0.309
MAR-TRE-799db12b-10
0.309
MAR-TRE-8190bb11-42
0.308
MAR-TRE-be9ff7d2-49
0.308
MAR-TRE-e82e6c98-57
0.308
MAR-TRE-a9136c7b-63
0.308
MAR-TRE-8190bb11-18
0.307
MAR-TRE-9d18ae8c-43
0.307
MAR-TRE-a9136c7b-45
0.307
MAR-TRE-8190bb11-38
0.306
MAR-TRE-92684b97-73
0.306
MAR-TRE-799db12b-79
0.305