Molecular Properties | |
SMILES: | COC(=O)C1CC(NC(=O)c2cncnc2)CS1(=O)=O |
MW: | 299.06 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 115.32 |
cLogP: | -1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-c317dd82-44
0.416
MAR-TRE-c317dd82-88
0.412
MAR-TRE-e82e6c98-65
0.411
MAR-TRE-c317dd82-8
0.403
MAR-TRE-9d18ae8c-78
0.403
MAR-TRE-e82e6c98-81
0.392
MAR-TRE-4f781e27-79
0.375
MAR-TRE-c317dd82-14
0.375
MAR-TRE-be9ff7d2-42
0.373
MAR-TRE-92684b97-57
0.371
MAR-TRE-e82e6c98-96
0.369
MAR-TRE-4f781e27-22
0.368
MAR-TRE-c317dd82-80
0.362
MAR-TRE-e82e6c98-99
0.362
MAR-TRE-9d18ae8c-90
0.362
MAR-TRE-92684b97-28
0.362
MAR-TRE-e82e6c98-78
0.358
MAR-TRE-be9ff7d2-49
0.351
MAR-TRE-be9ff7d2-19
0.351
MAR-TRE-799db12b-29
0.351
MAR-TRE-e82e6c98-41
0.347
MAR-TRE-e82e6c98-76
0.347
MAR-TRE-a9136c7b-89
0.346
MAR-TRE-c317dd82-82
0.342
MAR-TRE-c317dd82-34
0.342
MAR-TRE-8190bb11-58
0.342
MAR-TRE-a9136c7b-64
0.341
MAR-TRE-e82e6c98-86
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-e82e6c98-53
0.337
MAR-TRE-799db12b-92
0.337
MAR-TRE-c317dd82-3
0.337
MAR-TRE-c317dd82-69
0.333
MAR-TRE-c317dd82-89
0.333
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-66ac689e-23
0.333
MAR-TRE-92684b97-62
0.333
MAR-TRE-be9ff7d2-8
0.333
MAR-TRE-92684b97-39
0.333
MAR-TRE-92684b97-83
0.333
MAR-TRE-799db12b-57
0.329
MAR-TRE-92684b97-20
0.329
MAR-TRE-be9ff7d2-62
0.326
MAR-TRE-e82e6c98-56
0.325
MAR-TRE-a9136c7b-96
0.321
MAR-TRE-4f781e27-18
0.321
MAR-TRE-9d18ae8c-13
0.321
MAR-TRE-92684b97-14
0.321
MAR-TRE-e82e6c98-28
0.321
MAR-TRE-c317dd82-18
0.321
MAR-TRE-be9ff7d2-69
0.321
MAR-TRE-e82e6c98-77
0.320
MAR-TRE-e82e6c98-47
0.320
MAR-TRE-e82e6c98-69
0.318
MAR-TRE-be9ff7d2-30
0.317
MAR-TRE-4f781e27-35
0.317
MAR-TRE-66ac689e-57
0.316
MAR-TRE-be9ff7d2-95
0.314
MAR-TRE-66ac689e-98
0.312
MAR-TRE-be9ff7d2-22
0.312
MAR-TRE-4f781e27-16
0.312
MAR-TRE-799db12b-41
0.312
MAR-TRE-9d18ae8c-96
0.310
MAR-TRE-be9ff7d2-55
0.310
MAR-TRE-799db12b-50
0.309
MAR-TRE-c317dd82-77
0.309
MAR-TRE-e82e6c98-44
0.309
MAR-TRE-e82e6c98-71
0.308
MAR-TRE-66ac689e-18
0.308
MAR-TRE-9d18ae8c-93
0.308
MAR-TRE-c317dd82-11
0.307
MAR-TRE-be9ff7d2-36
0.307
MAR-TRE-9d18ae8c-72
0.307
MAR-TRE-4f781e27-37
0.305
MAR-TRE-8190bb11-95
0.305
MAR-TRE-c317dd82-6
0.305
MAR-TRE-799db12b-80
0.305
MAR-TRE-c317dd82-55
0.304
MAR-TRE-be9ff7d2-72
0.304
MAR-TRE-799db12b-47
0.304
MAR-TRE-799db12b-84
0.304
MAR-TRE-799db12b-62
0.302
MAR-TRE-c317dd82-68
0.301
MAR-TRE-be9ff7d2-12
0.301
MAR-TRE-be9ff7d2-35
0.301
MAR-TRE-e82e6c98-8
0.301
MAR-TRE-e82e6c98-14
0.301
MAR-TRE-92684b97-7
0.300
MAR-TRE-9d18ae8c-40
0.300
MAR-TRE-be9ff7d2-5
0.300
MAR-TRE-c317dd82-65
0.300
MAR-TRE-799db12b-46
0.300
MAR-TRE-799db12b-94
0.300
MAR-TRE-a9136c7b-81
0.300
MAR-TRE-be9ff7d2-53
0.299
MAR-TRE-9d18ae8c-86
0.299
MAR-TRE-be9ff7d2-38
0.299
MAR-TRE-66ac689e-86
0.299
MAR-TRE-8190bb11-42
0.299
MAR-TRE-66ac689e-67
0.298