Molecular Properties | |
SMILES: | CCC1CCC(NC(=O)c2cncnc2)(C(=O)O)CC1 |
MW: | 277.14 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-041-078-179 |
MAR-TRE-9d18ae8c-96
0.618
MAR-TRE-c317dd82-68
0.517
MAR-TRE-9d18ae8c-95
0.492
MAR-TRE-66ac689e-83
0.478
MAR-TRE-9d18ae8c-39
0.468
MAR-TRE-e82e6c98-41
0.453
MAR-TRE-66ac689e-7
0.419
MAR-TRE-9d18ae8c-33
0.414
MAR-TRE-92684b97-76
0.414
MAR-TRE-9d18ae8c-72
0.403
MAR-TRE-4f781e27-41
0.397
MAR-TRE-92684b97-52
0.397
MAR-TRE-e82e6c98-55
0.386
MAR-TRE-9d18ae8c-42
0.375
MAR-TRE-9d18ae8c-61
0.373
MAR-TRE-9d18ae8c-32
0.372
MAR-TRE-9d18ae8c-71
0.371
MAR-TRE-e82e6c98-1
0.370
MAR-TRE-4f781e27-22
0.370
MAR-TRE-9d18ae8c-31
0.366
MAR-TRE-be9ff7d2-66
0.365
MAR-TRE-a9136c7b-97
0.364
MAR-TRE-e82e6c98-71
0.361
MAR-TRE-4f781e27-21
0.357
MAR-TRE-92684b97-57
0.353
MAR-TRE-be9ff7d2-79
0.351
MAR-TRE-92684b97-73
0.346
MAR-TRE-4f781e27-33
0.342
MAR-TRE-e82e6c98-83
0.342
MAR-TRE-e82e6c98-56
0.342
MAR-TRE-e82e6c98-34
0.342
MAR-TRE-4f781e27-64
0.338
MAR-TRE-92684b97-95
0.338
MAR-TRE-9d18ae8c-27
0.338
MAR-TRE-92684b97-31
0.338
MAR-TRE-8190bb11-39
0.338
MAR-TRE-c317dd82-88
0.333
MAR-TRE-4f781e27-35
0.333
MAR-TRE-4f781e27-77
0.333
MAR-TRE-92684b97-39
0.333
MAR-TRE-92684b97-83
0.333
MAR-TRE-9d18ae8c-68
0.333
MAR-TRE-c317dd82-53
0.333
MAR-TRE-be9ff7d2-74
0.333
MAR-TRE-66ac689e-5
0.333
MAR-TRE-92684b97-4
0.329
MAR-TRE-66ac689e-90
0.329
MAR-TRE-e82e6c98-66
0.329
MAR-TRE-c317dd82-8
0.329
MAR-TRE-c317dd82-98
0.329
MAR-TRE-e82e6c98-40
0.325
MAR-TRE-66ac689e-2
0.325
MAR-TRE-92684b97-19
0.325
MAR-TRE-4f781e27-76
0.325
MAR-TRE-9d18ae8c-29
0.325
MAR-TRE-c317dd82-34
0.325
MAR-TRE-c317dd82-40
0.325
MAR-TRE-c317dd82-82
0.324
MAR-TRE-e82e6c98-9
0.324
MAR-TRE-c317dd82-21
0.324
MAR-TRE-be9ff7d2-71
0.321
MAR-TRE-799db12b-54
0.321
MAR-TRE-66ac689e-55
0.321
MAR-TRE-c317dd82-6
0.321
MAR-TRE-be9ff7d2-42
0.320
MAR-TRE-be9ff7d2-43
0.320
MAR-TRE-e82e6c98-65
0.320
MAR-TRE-be9ff7d2-69
0.320
MAR-TRE-be9ff7d2-76
0.320
MAR-TRE-c317dd82-87
0.320
MAR-TRE-e82e6c98-48
0.320
MAR-TRE-e82e6c98-7
0.319
MAR-TRE-8190bb11-13
0.319
MAR-TRE-be9ff7d2-88
0.319
MAR-TRE-be9ff7d2-14
0.316
MAR-TRE-92684b97-62
0.316
MAR-TRE-c317dd82-4
0.316
MAR-TRE-c317dd82-62
0.316
MAR-TRE-e82e6c98-14
0.316
MAR-TRE-799db12b-29
0.316
MAR-TRE-92684b97-7
0.316
MAR-TRE-e82e6c98-11
0.316
MAR-TRE-8190bb11-42
0.315
MAR-TRE-4f781e27-39
0.315
MAR-TRE-be9ff7d2-49
0.315
MAR-TRE-be9ff7d2-38
0.315
MAR-TRE-e82e6c98-72
0.315
MAR-TRE-c317dd82-5
0.313
MAR-TRE-be9ff7d2-2
0.313
MAR-TRE-a9136c7b-27
0.313
MAR-TRE-a9136c7b-89
0.312
MAR-TRE-be9ff7d2-29
0.312
MAR-TRE-4f781e27-13
0.312
MAR-TRE-be9ff7d2-54
0.312
MAR-TRE-e82e6c98-99
0.312
MAR-TRE-8190bb11-56
0.312
MAR-TRE-92684b97-20
0.312
MAR-TRE-4f781e27-90
0.312
MAR-TRE-be9ff7d2-25
0.311
MAR-TRE-be9ff7d2-41
0.311