Molecular Properties | |
SMILES: | Cc1ncccc1NC(=O)C(C)NC(=O)c1cncnc1 |
MW: | 285.12 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 96.87 |
cLogP: | 0.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-c317dd82-48
0.463
MAR-TRE-c317dd82-42
0.442
MAR-TRE-be9ff7d2-68
0.440
CAS-DEP-751a2458-6
0.408
MAR-TRE-4f781e27-29
0.400
MAR-TRE-c317dd82-96
0.397
MAR-TRE-9d18ae8c-41
0.392
MAR-TRE-92684b97-84
0.378
MAR-TRE-799db12b-74
0.377
MAR-TRE-9d18ae8c-67
0.377
MAR-TRE-9d18ae8c-22
0.373
MAR-TRE-66ac689e-30
0.372
MAR-TRE-92684b97-15
0.367
MAR-TRE-8190bb11-5
0.365
MAR-TRE-9d18ae8c-37
0.362
MAR-TRE-4f781e27-44
0.362
MAR-TRE-9d18ae8c-50
0.361
MAR-TRE-799db12b-28
0.361
MAR-TRE-8190bb11-98
0.359
MAR-TRE-be9ff7d2-47
0.356
MAR-TRE-66ac689e-72
0.354
MAR-TRE-9d18ae8c-64
0.351
MAR-TRE-8190bb11-11
0.351
MAR-TRE-be9ff7d2-58
0.351
MAR-TRE-799db12b-63
0.350
MAR-TRE-a9136c7b-91
0.350
MAR-TRE-92684b97-1
0.349
MAR-TRE-a9136c7b-52
0.349
MAR-TRE-e82e6c98-30
0.347
MAR-TRE-9d18ae8c-59
0.347
MAR-TRE-66ac689e-3
0.346
MAR-TRE-66ac689e-22
0.346
MAR-TRE-799db12b-73
0.346
MAR-TRE-66ac689e-27
0.346
MAR-TRE-66ac689e-85
0.346
MAR-TRE-66ac689e-84
0.346
MAR-TRE-67513f76-66
0.346
MAR-TRE-9d18ae8c-17
0.345
MAR-TRE-a9136c7b-82
0.345
MAR-TRE-8190bb11-67
0.345
MAR-TRE-9d18ae8c-4
0.345
MAR-TRE-92684b97-18
0.345
MAR-TRE-9c797165-35
0.345
MAR-TRE-92684b97-56
0.342
MAR-TRE-92684b97-87
0.342
MAR-TRE-4f781e27-40
0.342
MAR-TRE-4f781e27-86
0.342
MAR-TRE-9d18ae8c-35
0.341
MAR-TRE-7f7bb9f0-95
0.341
MAR-TRE-8190bb11-93
0.341
MAR-TRE-92684b97-16
0.341
MAR-TRE-92684b97-12
0.341
MAR-TRE-66ac689e-57
0.338
MAR-TRE-92684b97-35
0.338
MAR-TRE-4f781e27-39
0.338
MAR-TRE-92684b97-86
0.338
MAR-TRE-a9136c7b-84
0.338
MAR-TRE-66ac689e-42
0.338
MAR-TRE-4f781e27-14
0.338
MAR-TRE-9d18ae8c-48
0.338
MAR-TRE-9d18ae8c-97
0.338
MAR-TRE-a9136c7b-67
0.337
MAR-TRE-a9136c7b-93
0.337
MAR-TRE-799db12b-31
0.337
MAR-TRE-66ac689e-56
0.337
MAR-TRE-8190bb11-89
0.337
MAR-TRE-8190bb11-6
0.337
MAR-TRE-a9136c7b-77
0.337
MAR-TRE-799db12b-95
0.333
MAR-TRE-e82e6c98-70
0.333
MAR-TRE-a9136c7b-28
0.333
MAR-TRE-a9136c7b-66
0.333
MAR-TRE-9d18ae8c-87
0.333
MAR-TRE-66ac689e-45
0.333
MAR-TRE-4f781e27-45
0.333
MAR-TRE-8190bb11-91
0.333
EDG-MED-0da5ad92-14
0.333
MAR-TRE-92684b97-85
0.333
MAR-TRE-9d18ae8c-85
0.333
MAR-TRE-8190bb11-14
0.333
MAR-TRE-92684b97-80
0.333
MAR-TRE-8190bb11-47
0.333
MAR-TRE-9d18ae8c-62
0.330
MAR-TRE-be9ff7d2-9
0.330
MAR-TRE-e82e6c98-46
0.329
MAR-TRE-be9ff7d2-55
0.329
MAR-TRE-9c797165-34
0.329
MAR-TRE-9d18ae8c-99
0.329
MAR-TRE-9d18ae8c-8
0.329
MAR-TRE-9d18ae8c-57
0.329
MAR-TRE-a9136c7b-43
0.329
MAR-TRE-66ac689e-18
0.329
MAR-TRE-8190bb11-97
0.329
MAR-TRE-92684b97-77
0.329
MAR-TRE-8190bb11-72
0.329
MAR-TRE-92684b97-63
0.329
MAR-TRE-66ac689e-58
0.329
MAR-TRE-4f781e27-70
0.329
MAT-POS-590ac91e-13
0.329
MAR-TRE-799db12b-19
0.326