Molecular Properties | |
SMILES: | O=C(CCNC(=O)c1cncnc1)NC1CCS(=O)(=O)C1 |
MW: | 312.09 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 118.12 |
cLogP: | -1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-e82e6c98-47
0.464
MAR-TRE-e82e6c98-22
0.400
MAR-TRE-8190bb11-30
0.375
MAR-TRE-be9ff7d2-41
0.373
MAR-TRE-be9ff7d2-70
0.372
MAR-TRE-8190bb11-33
0.367
MAR-TRE-799db12b-68
0.366
MAR-TRE-4f781e27-85
0.365
MAR-TRE-92684b97-52
0.365
MAR-TRE-c317dd82-6
0.362
MAR-TRE-8190bb11-39
0.361
MAR-TRE-4f781e27-7
0.358
MAR-TRE-4f781e27-49
0.356
MAR-TRE-e82e6c98-50
0.354
MAR-TRE-e82e6c98-99
0.354
MAR-TRE-c317dd82-46
0.351
MAR-TRE-4f781e27-76
0.350
MAR-TRE-be9ff7d2-32
0.350
MAR-TRE-7f7bb9f0-68
0.349
MAR-TRE-e82e6c98-85
0.349
MAR-TRE-c317dd82-68
0.347
ABI-SAT-4d06482b-4
0.346
MAR-TRE-e82e6c98-48
0.346
MAR-TRE-c317dd82-88
0.342
MAR-TRE-e82e6c98-26
0.342
MAR-TRE-4f781e27-22
0.342
MAR-TRE-e82e6c98-41
0.338
MAR-TRE-c317dd82-8
0.338
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-8190bb11-96
0.338
MAR-TRE-92684b97-37
0.337
MAR-TRE-799db12b-51
0.337
MAR-TRE-e82e6c98-35
0.333
MAR-TRE-4f781e27-58
0.333
MAR-TRE-c317dd82-58
0.333
MAR-TRE-66ac689e-59
0.333
MAR-TRE-c317dd82-70
0.329
MAR-TRE-66ac689e-35
0.329
MAR-TRE-e82e6c98-65
0.329
MAR-TRE-e82e6c98-75
0.329
MAR-TRE-e82e6c98-54
0.329
MAR-TRE-c317dd82-4
0.325
MAR-TRE-e82e6c98-61
0.325
MAR-TRE-e82e6c98-8
0.325
MAR-TRE-4f781e27-77
0.325
MAR-TRE-c317dd82-92
0.325
MAR-TRE-8190bb11-42
0.325
MAR-TRE-be9ff7d2-74
0.324
MAR-TRE-c317dd82-44
0.321
MAR-TRE-e82e6c98-2
0.321
MAR-TRE-66ac689e-67
0.321
MAR-TRE-4f781e27-81
0.321
MAR-TRE-e82e6c98-29
0.321
MAR-TRE-4f781e27-16
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-4f781e27-84
0.321
MAR-TRE-9d18ae8c-89
0.321
MAR-TRE-be9ff7d2-67
0.319
MAR-TRE-be9ff7d2-60
0.318
MAR-TRE-be9ff7d2-82
0.318
MAR-TRE-e82e6c98-40
0.318
MAR-TRE-e82e6c98-78
0.318
MAR-TRE-c317dd82-40
0.317
MAR-TRE-e82e6c98-56
0.317
MAR-TRE-c317dd82-82
0.316
MAR-TRE-4f781e27-19
0.316
MAR-TRE-c317dd82-33
0.314
MAR-TRE-c317dd82-26
0.314
MAR-TRE-9d18ae8c-13
0.314
MAR-TRE-be9ff7d2-51
0.314
MAR-TRE-8190bb11-95
0.313
MAR-TRE-be9ff7d2-44
0.312
MAR-TRE-be9ff7d2-42
0.312
MAR-TRE-e82e6c98-77
0.312
MAR-TRE-4f781e27-41
0.312
MAR-TRE-be9ff7d2-90
0.312
MAR-TRE-8190bb11-64
0.311
MAR-TRE-92684b97-78
0.311
MAR-TRE-66ac689e-91
0.310
MAR-TRE-9d18ae8c-23
0.310
MAR-TRE-799db12b-89
0.310
MAR-TRE-be9ff7d2-14
0.310
MAR-TRE-799db12b-29
0.309
MAR-TRE-8190bb11-69
0.309
MAR-TRE-92684b97-39
0.309
MAR-TRE-92684b97-83
0.309
MAR-TRE-66ac689e-28
0.309
MAR-TRE-4f781e27-12
0.308
MAR-TRE-92684b97-74
0.308
MAR-TRE-be9ff7d2-38
0.308
MAR-TRE-be9ff7d2-49
0.308
MAR-TRE-c317dd82-85
0.307
MAR-TRE-e82e6c98-51
0.307
MAR-TRE-4f781e27-82
0.307
MAR-TRE-be9ff7d2-95
0.307
MAR-TRE-e82e6c98-94
0.307
MAR-TRE-92684b97-57
0.307
MAR-TRE-799db12b-52
0.306
MAR-TRE-be9ff7d2-81
0.306
MAR-TRE-c317dd82-80
0.306