Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)CNC(=O)c2cncnc2)c1C |
MW: | 284.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.98 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-a9136c7b-28
0.698
MAR-TRE-4f781e27-19
0.576
MAR-TRE-4f781e27-49
0.523
MAR-TRE-4f781e27-43
0.522
MAR-TRE-c317dd82-35
0.514
MAR-TRE-92684b97-89
0.493
MAR-TRE-799db12b-39
0.479
MAR-TRE-c317dd82-63
0.471
MAR-TRE-66ac689e-28
0.432
MAR-TRE-e82e6c98-54
0.423
MAR-TRE-e82e6c98-77
0.423
MAR-TRE-799db12b-84
0.419
MAR-TRE-a9136c7b-51
0.418
MAR-TRE-9d18ae8c-97
0.413
MAR-TRE-9d18ae8c-64
0.392
MAR-TRE-66ac689e-37
0.385
MAR-TRE-92684b97-11
0.382
MAR-TRE-799db12b-44
0.380
MAR-TRE-9d18ae8c-53
0.380
MAR-TRE-799db12b-27
0.375
MAR-TRE-66ac689e-98
0.372
MAR-TRE-a9136c7b-76
0.369
MAR-TRE-4f781e27-96
0.367
MAR-TRE-799db12b-24
0.366
MAR-TRE-799db12b-33
0.366
MAR-TRE-9d18ae8c-54
0.366
MAR-TRE-66ac689e-33
0.361
MAR-TRE-be9ff7d2-17
0.359
MAR-TRE-be9ff7d2-98
0.359
MAR-TRE-799db12b-16
0.358
MAR-TRE-92684b97-82
0.358
MAR-TRE-8190bb11-24
0.356
MAR-TRE-8190bb11-85
0.356
MAR-TRE-799db12b-87
0.354
MAR-TRE-66ac689e-67
0.354
MAR-TRE-9d18ae8c-43
0.353
MAR-TRE-9d18ae8c-11
0.353
MAR-TRE-66ac689e-59
0.351
MAR-TRE-66ac689e-73
0.350
MAR-TRE-66ac689e-50
0.350
MAR-TRE-799db12b-3
0.349
MAR-TRE-8190bb11-34
0.349
MAR-TRE-be9ff7d2-43
0.346
MAR-TRE-8190bb11-51
0.346
MAR-TRE-92684b97-81
0.346
MAR-TRE-e82e6c98-91
0.346
MAR-TRE-4f781e27-55
0.346
MAR-TRE-92684b97-14
0.346
MAR-TRE-be9ff7d2-51
0.345
MAR-TRE-a9136c7b-78
0.345
MAR-TRE-8190bb11-80
0.345
MAR-TRE-4f781e27-57
0.345
MAR-TRE-9d18ae8c-30
0.345
MAR-TRE-0fda4e82-67
0.344
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-8190bb11-42
0.342
MAR-TRE-66ac689e-12
0.342
MAR-TRE-92684b97-86
0.342
MAR-TRE-92684b97-91
0.341
MAR-TRE-799db12b-76
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-4f781e27-99
0.338
MAR-TRE-799db12b-20
0.338
MAR-TRE-be9ff7d2-6
0.338
MAR-TRE-92684b97-85
0.338
MAR-TRE-66ac689e-34
0.337
MAR-TRE-799db12b-51
0.337
MAR-TRE-8190bb11-8
0.337
MAR-TRE-8190bb11-31
0.337
SAD-SAT-29425be4-5
0.337
GAB-REV-70cc3ca5-5
0.337
MAR-TRE-be9ff7d2-82
0.333
MAR-TRE-e82e6c98-68
0.333
MAR-TRE-be9ff7d2-1
0.333
MAR-TRE-799db12b-2
0.333
MAR-TRE-8190bb11-27
0.333
MAR-TRE-8190bb11-58
0.333
MAR-TRE-9d18ae8c-18
0.333
MAR-TRE-9d18ae8c-34
0.333
MAR-TRE-9d18ae8c-83
0.333
MAR-TRE-92684b97-64
0.333
MAR-TRE-74c6519b-15
0.330
MAR-TRE-92684b97-8
0.330
MAR-TRE-9d18ae8c-10
0.330
MAR-TRE-799db12b-43
0.329
MAR-TRE-4f781e27-2
0.329
MAR-TRE-9d18ae8c-13
0.329
MAR-TRE-9d18ae8c-52
0.329
MAR-TRE-92684b97-46
0.329
MAR-TRE-92684b97-47
0.329
MAR-TRE-4f781e27-37
0.329
MAR-TRE-8190bb11-40
0.329
MAR-TRE-c317dd82-39
0.329
MAR-TRE-799db12b-74
0.329
MAR-TRE-4f781e27-74
0.329
MAR-TRE-92684b97-13
0.329
MAR-TRE-4f781e27-85
0.329
MAR-TRE-be9ff7d2-90
0.329
MAR-TRE-92684b97-66
0.329
MAR-TRE-8190bb11-13
0.329