Molecular Properties | |
SMILES: | O=C(NCCN1CCS(=O)(=O)CC1)c1cncnc1 |
MW: | 284.09 |
Fraction sp3: | 0.55 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 92.26 |
cLogP: | -1.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-19
0.464
MAR-TRE-be9ff7d2-32
0.451
MAR-TRE-e82e6c98-22
0.449
MAR-TRE-4f781e27-7
0.438
MAR-TRE-8190bb11-30
0.438
MAR-TRE-8190bb11-33
0.431
MAR-TRE-799db12b-68
0.427
MAR-TRE-e82e6c98-26
0.426
MAR-TRE-8190bb11-64
0.412
MAR-TRE-c317dd82-70
0.405
MAR-TRE-8190bb11-96
0.400
MAR-TRE-66ac689e-91
0.397
STE-KUL-2e0d2e88-3
0.397
MAR-TRE-c317dd82-68
0.394
MAR-TRE-e82e6c98-75
0.389
MAR-TRE-c317dd82-92
0.384
MAR-TRE-e82e6c98-41
0.382
MAR-TRE-e82e6c98-76
0.380
MAR-TRE-be9ff7d2-70
0.378
MAR-TRE-4f781e27-85
0.371
MAR-TRE-e82e6c98-93
0.364
MAR-TRE-be9ff7d2-41
0.361
MAR-TRE-e82e6c98-29
0.360
MAR-TRE-e82e6c98-99
0.359
MAR-TRE-66ac689e-34
0.359
MAR-TRE-4f781e27-65
0.359
MAR-TRE-e82e6c98-5
0.359
MAR-TRE-e82e6c98-64
0.359
MAR-TRE-66ac689e-59
0.356
MAR-TRE-4f781e27-58
0.355
MAR-TRE-e82e6c98-85
0.354
MAR-TRE-92684b97-52
0.352
MAR-TRE-e82e6c98-48
0.351
MAR-TRE-c317dd82-6
0.351
MAR-TRE-c317dd82-22
0.349
STE-KUL-2e0d2e88-1
0.347
MAR-TRE-92684b97-74
0.347
MAR-LAB-ca4662a6-5
0.347
MAR-TRE-8190bb11-42
0.347
MAR-TRE-799db12b-89
0.346
MAR-TRE-66ac689e-21
0.346
MAR-TRE-be9ff7d2-33
0.345
MAR-TRE-be9ff7d2-67
0.343
MAR-TRE-be9ff7d2-40
0.342
MAR-TRE-e82e6c98-50
0.342
MAR-TRE-66ac689e-26
0.342
MAR-TRE-4f781e27-16
0.342
MAR-TRE-799db12b-52
0.342
MAR-TRE-c317dd82-81
0.342
MAR-TRE-be9ff7d2-92
0.342
MAR-TRE-66ac689e-29
0.342
MAR-TRE-4f781e27-81
0.342
MAR-TRE-a9136c7b-23
0.341
MAR-TRE-e82e6c98-68
0.338
MAR-TRE-66ac689e-83
0.338
MAR-TRE-e82e6c98-35
0.338
MAR-TRE-799db12b-98
0.337
MAR-TRE-e82e6c98-92
0.337
MAR-TRE-e82e6c98-62
0.337
MAR-TRE-be9ff7d2-43
0.333
MAR-TRE-e82e6c98-65
0.333
MAR-TRE-66ac689e-47
0.333
MAR-TRE-8190bb11-95
0.333
MAR-TRE-be9ff7d2-44
0.333
MAR-TRE-be9ff7d2-90
0.333
MAR-TRE-e82e6c98-54
0.333
MAR-TRE-66ac689e-35
0.333
MAR-TRE-c317dd82-26
0.333
MAR-TRE-c317dd82-75
0.333
MAR-TRE-92684b97-78
0.333
MAR-TRE-c317dd82-55
0.333
MAR-TRE-8190bb11-39
0.333
MAR-TRE-a9136c7b-11
0.330
MAR-TRE-e82e6c98-3
0.329
MAR-TRE-be9ff7d2-99
0.329
MAR-TRE-4f781e27-23
0.329
MAR-TRE-c317dd82-69
0.329
MAR-TRE-be9ff7d2-77
0.329
MAR-TRE-4f781e27-77
0.329
MAR-TRE-be9ff7d2-14
0.329
MAR-TRE-e82e6c98-16
0.329
MAR-TRE-4f781e27-22
0.329
MAR-TRE-be9ff7d2-49
0.329
MAR-TRE-c317dd82-88
0.329
MAR-TRE-be9ff7d2-5
0.326
MAR-TRE-a9136c7b-83
0.326
MAR-TRE-799db12b-11
0.325
MAR-TRE-799db12b-69
0.325
MAR-TRE-4f781e27-82
0.325
MAR-TRE-be9ff7d2-54
0.325
MAR-TRE-92684b97-37
0.325
MAR-TRE-a9136c7b-89
0.325
MAR-TRE-66ac689e-7
0.325
MAR-TRE-66ac689e-67
0.325
MAR-TRE-8190bb11-46
0.325
MAR-TRE-e82e6c98-12
0.325
MAR-TRE-4f781e27-84
0.324
MAR-TRE-4f781e27-99
0.324
MAR-TRE-9d18ae8c-89
0.324
MAR-TRE-8190bb11-85
0.324