Molecular Properties | |
SMILES: | COc1ccc(CNC(=O)CNC(=O)c2cncnc2)cc1 |
MW: | 300.12 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 93.21 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-e82e6c98-54
0.667
MAR-TRE-8190bb11-85
0.485
MAR-TRE-e82e6c98-77
0.471
MAR-TRE-92684b97-96
0.467
MAR-TRE-8190bb11-24
0.463
MAR-TRE-92684b97-78
0.455
MAR-TRE-8190bb11-13
0.449
MAR-TRE-be9ff7d2-49
0.443
MAR-TRE-4f781e27-49
0.441
MAR-TRE-799db12b-35
0.437
MAR-TRE-4f781e27-99
0.437
MAR-TRE-66ac689e-89
0.423
MAR-TRE-66ac689e-57
0.423
MAR-TRE-9d18ae8c-48
0.419
MAR-TRE-4f781e27-60
0.418
MAR-TRE-9d18ae8c-89
0.417
MAR-TRE-c317dd82-63
0.417
MAR-TRE-e82e6c98-14
0.416
MAR-TRE-66ac689e-98
0.413
MAR-TRE-a9136c7b-28
0.413
MAR-TRE-66ac689e-18
0.411
MAR-TRE-8190bb11-50
0.411
MAR-TRE-4f781e27-19
0.411
MAR-TRE-799db12b-47
0.405
MAR-TRE-4f781e27-43
0.405
MAR-TRE-92684b97-11
0.405
MAR-TRE-a9136c7b-51
0.405
AAR-UNI-c25c2f1e-70
0.405
MAR-TRE-66ac689e-23
0.403
MAR-TRE-799db12b-80
0.403
MAR-TRE-c317dd82-35
0.400
MAR-TRE-799db12b-94
0.400
MAR-TRE-8190bb11-68
0.400
MAR-TRE-4f781e27-83
0.400
MAR-TRE-799db12b-46
0.400
MAR-TRE-8190bb11-86
0.397
MAR-TRE-e82e6c98-76
0.397
MAR-TRE-799db12b-41
0.397
MAR-TRE-4f781e27-16
0.395
MAR-TRE-66ac689e-26
0.395
MAR-TRE-9d18ae8c-74
0.395
MAR-TRE-be9ff7d2-7
0.393
MAR-TRE-799db12b-87
0.392
MAR-TRE-799db12b-52
0.392
MAR-TRE-799db12b-50
0.390
MAR-TRE-4f781e27-96
0.390
MAR-TRE-799db12b-33
0.388
MAR-TRE-be9ff7d2-73
0.386
MAR-TRE-66ac689e-20
0.385
MAR-TRE-8190bb11-95
0.385
MAR-TRE-92684b97-89
0.385
MAR-TRE-9d18ae8c-53
0.385
MAR-TRE-92684b97-14
0.385
MAR-TRE-a9136c7b-69
0.383
MAR-TRE-a9136c7b-78
0.383
MAR-TRE-be9ff7d2-17
0.382
MAR-TRE-be9ff7d2-98
0.382
MAR-TRE-66ac689e-12
0.382
MAR-TRE-66ac689e-69
0.381
MAR-TRE-85681e92-91
0.380
MAR-TRE-66ac689e-21
0.380
MAR-TRE-92684b97-82
0.380
MAR-TRE-92684b97-92
0.378
MAT-POS-162a9720-11
0.375
MAR-TRE-a9136c7b-59
0.375
MAR-TRE-be9ff7d2-95
0.373
MAR-TRE-66ac689e-37
0.372
MAR-TRE-799db12b-39
0.372
MAR-TRE-4f781e27-58
0.372
MAR-TRE-799db12b-28
0.370
MAR-TRE-4f781e27-85
0.370
MAR-TRE-799db12b-44
0.367
MAR-TRE-e82e6c98-91
0.367
MAR-TRE-799db12b-72
0.366
MAR-TRE-9d18ae8c-13
0.366
MAR-TRE-8190bb11-80
0.366
MAR-TRE-66ac689e-28
0.364
MAR-TRE-e82e6c98-16
0.364
MAR-TRE-799db12b-27
0.362
MAR-TRE-799db12b-31
0.362
MAR-TRE-92684b97-68
0.361
MAR-TRE-be9ff7d2-40
0.359
MAR-TRE-a9136c7b-98
0.359
MAR-TRE-8190bb11-77
0.359
MAR-TRE-92684b97-54
0.359
MAR-TRE-66ac689e-34
0.358
MAR-TRE-4f781e27-88
0.358
MAR-TRE-8190bb11-38
0.358
MAR-TRE-8190bb11-31
0.357
MAR-TRE-8190bb11-18
0.357
MAR-TRE-be9ff7d2-5
0.356
MAR-TRE-e82e6c98-68
0.356
MAR-TRE-be9ff7d2-1
0.355
MAR-TRE-66ac689e-73
0.354
MAR-TRE-4f781e27-100
0.354
MAR-TRE-8190bb11-58
0.354
RAL-THA-2d450e86-4
0.354
MAR-TRE-799db12b-24
0.354
MAR-TRE-8190bb11-67
0.354
MAR-TRE-92684b97-64
0.354