Molecular Properties | |
SMILES: | COC(=O)C1(NC(=O)c2cncnc2)CCS(=O)(=O)CC1 |
MW: | 313.07 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 115.32 |
cLogP: | -0.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-c317dd82-68
0.607
MAR-TRE-9d18ae8c-72
0.550
MAR-TRE-9d18ae8c-96
0.467
MAR-TRE-92684b97-76
0.463
MAR-TRE-9d18ae8c-76
0.453
MAR-TRE-9d18ae8c-95
0.453
MAR-TRE-be9ff7d2-70
0.429
MAR-TRE-e82e6c98-55
0.412
MAR-TRE-9d18ae8c-39
0.406
MAR-TRE-e82e6c98-1
0.394
MAR-TRE-e82e6c98-99
0.387
MAR-TRE-66ac689e-83
0.384
MAR-TRE-e82e6c98-47
0.382
MAR-TRE-4f781e27-35
0.373
MAR-TRE-92684b97-73
0.368
MAR-TRE-66ac689e-7
0.368
MAR-TRE-4f781e27-21
0.362
MAR-TRE-92684b97-95
0.361
MAR-TRE-9d18ae8c-33
0.361
MAR-TRE-9d18ae8c-61
0.358
MAR-TRE-c317dd82-53
0.357
MAR-TRE-be9ff7d2-49
0.357
MAR-TRE-4f781e27-22
0.356
MAR-TRE-be9ff7d2-66
0.351
MAR-TRE-be9ff7d2-15
0.351
MAR-TRE-be9ff7d2-2
0.350
MAR-TRE-be9ff7d2-36
0.348
MAR-TRE-c317dd82-46
0.347
MAR-TRE-e82e6c98-71
0.347
MAR-TRE-e82e6c98-7
0.343
MAR-TRE-92684b97-52
0.343
MAR-TRE-9d18ae8c-42
0.342
MAR-TRE-e82e6c98-65
0.342
MAR-TRE-66ac689e-55
0.342
MAR-TRE-92684b97-14
0.342
MAR-TRE-9d18ae8c-13
0.342
MAR-TRE-9d18ae8c-71
0.338
MAR-TRE-66ac689e-57
0.338
MAR-TRE-be9ff7d2-19
0.338
MAR-TRE-c317dd82-94
0.338
MAR-TRE-799db12b-94
0.338
MAR-TRE-be9ff7d2-79
0.338
MAR-TRE-e82e6c98-66
0.333
MAR-TRE-66ac689e-88
0.333
MAR-TRE-9d18ae8c-31
0.333
MAR-TRE-66ac689e-98
0.333
MAR-TRE-c317dd82-8
0.333
MAR-TRE-be9ff7d2-54
0.333
MAR-TRE-a9136c7b-27
0.333
MAR-TRE-66ac689e-90
0.333
MAR-TRE-92684b97-4
0.333
MAR-TRE-a9136c7b-97
0.333
MAR-TRE-be9ff7d2-40
0.333
MAR-TRE-92684b97-19
0.329
MAR-TRE-e82e6c98-56
0.329
MAR-TRE-8190bb11-33
0.329
MAR-TRE-c317dd82-34
0.329
MAR-TRE-e82e6c98-34
0.329
MAR-TRE-e82e6c98-83
0.329
MAR-TRE-a9136c7b-92
0.329
MAR-TRE-66ac689e-18
0.329
MAR-TRE-4f781e27-33
0.329
MAR-TRE-be9ff7d2-83
0.329
MAR-TRE-9d18ae8c-32
0.325
MAR-TRE-9d18ae8c-27
0.325
MAR-TRE-799db12b-54
0.325
MAR-TRE-66ac689e-97
0.325
MAR-TRE-66ac689e-95
0.324
MAR-TRE-be9ff7d2-76
0.324
MAR-TRE-799db12b-47
0.324
MAR-TRE-92684b97-71
0.324
MAR-TRE-8190bb11-51
0.324
MAR-TRE-be9ff7d2-72
0.324
MAR-TRE-92684b97-87
0.324
MAR-TRE-e82e6c98-77
0.324
MAR-TRE-c317dd82-48
0.324
MAR-TRE-c317dd82-62
0.321
MAR-TRE-c317dd82-90
0.321
MAR-TRE-66ac689e-5
0.321
MAR-TRE-9d18ae8c-68
0.321
MAR-TRE-4f781e27-7
0.321
MAR-TRE-9d18ae8c-40
0.320
MAR-TRE-66ac689e-79
0.320
MAR-TRE-e82e6c98-16
0.320
MAR-TRE-799db12b-46
0.320
MAR-TRE-92684b97-83
0.320
MAR-TRE-8190bb11-69
0.320
MAR-TRE-66ac689e-80
0.320
MAR-TRE-e82e6c98-80
0.319
MAR-TRE-c317dd82-47
0.318
MAR-TRE-c317dd82-12
0.317
MAK-UNK-f983951f-20
0.317
MAR-TRE-a9136c7b-89
0.316
MAR-TRE-799db12b-87
0.316
MAR-TRE-c317dd82-44
0.316
MAR-TRE-e82e6c98-87
0.316
MAR-TRE-c317dd82-99
0.316
MAR-TRE-e82e6c98-13
0.316
MAR-TRE-9d18ae8c-100
0.316
MAR-TRE-4f781e27-16
0.316