Molecular Properties | |
SMILES: | CNC(=O)CNC(=O)c1cccc(NC(=O)c2cncnc2)c1 |
MW: | 313.12 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 113.08 |
cLogP: | 0.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-4f781e27-43
0.529
MAR-TRE-4f781e27-49
0.485
MAR-TRE-92684b97-89
0.480
MAR-TRE-9d18ae8c-48
0.479
MAR-TRE-66ac689e-28
0.479
MAR-TRE-a9136c7b-28
0.473
MAR-TRE-799db12b-43
0.456
MAR-TRE-4f781e27-2
0.456
MAR-TRE-9d18ae8c-10
0.451
MAR-TRE-e82e6c98-80
0.444
MAR-TRE-9d18ae8c-18
0.443
MAR-TRE-66ac689e-8
0.442
MAR-TRE-92684b97-55
0.442
MAR-TRE-c317dd82-63
0.438
MAR-TRE-799db12b-86
0.438
MAR-TRE-4f781e27-47
0.438
MAR-TRE-66ac689e-37
0.429
MAR-TRE-799db12b-37
0.427
MAR-TRE-9d18ae8c-11
0.427
MAR-TRE-8190bb11-4
0.425
MAR-TRE-799db12b-2
0.425
MAR-TRE-9d18ae8c-53
0.423
MAR-TRE-9d18ae8c-7
0.415
MAR-TRE-4f781e27-19
0.413
MAR-TRE-66ac689e-31
0.412
MAR-TRE-a9136c7b-42
0.412
MAR-TRE-66ac689e-76
0.412
MAR-TRE-9d18ae8c-2
0.410
MAR-TRE-799db12b-24
0.407
MAR-TRE-799db12b-33
0.407
MAR-TRE-9d18ae8c-54
0.407
MAR-TRE-799db12b-16
0.400
MAR-TRE-799db12b-27
0.400
MAR-TRE-799db12b-40
0.398
MAR-TRE-9d18ae8c-9
0.398
MAR-TRE-e82e6c98-54
0.392
MAR-TRE-799db12b-3
0.390
MAR-TRE-a9136c7b-51
0.390
MAR-TRE-66ac689e-25
0.390
MAR-TRE-c317dd82-59
0.386
MAR-TRE-a9136c7b-57
0.386
MAR-TRE-799db12b-34
0.386
MAR-TRE-9d18ae8c-30
0.386
MAR-TRE-c317dd82-35
0.385
MAR-TRE-66ac689e-72
0.385
MAR-TRE-799db12b-25
0.381
MAR-TRE-799db12b-76
0.379
MAR-TRE-9d18ae8c-43
0.376
MAR-TRE-e82e6c98-38
0.373
MAR-TRE-e82e6c98-77
0.373
MAR-TRE-66ac689e-10
0.372
MAR-TRE-92684b97-6
0.372
MAR-TRE-799db12b-84
0.372
MAR-TRE-92684b97-14
0.370
MAR-TRE-c317dd82-16
0.369
MAR-TRE-9d18ae8c-52
0.369
MAR-TRE-4f781e27-12
0.368
MAR-TRE-fd17a9b8-63
0.366
MAR-TRE-a9136c7b-11
0.363
MAR-TRE-799db12b-51
0.360
MAR-TRE-9d18ae8c-77
0.360
AAR-UNI-c25c2f1e-30
0.359
MAR-TRE-66ac689e-73
0.358
MAR-TRE-799db12b-14
0.356
MAR-TRE-799db12b-97
0.356
MAR-TRE-9d18ae8c-34
0.356
MAR-TRE-92684b97-66
0.355
MAR-TRE-66ac689e-33
0.353
MAR-TRE-66ac689e-65
0.353
MAR-TRE-9d18ae8c-13
0.353
MAR-TRE-c317dd82-56
0.352
MAR-TRE-8190bb11-69
0.350
MAR-TRE-9d18ae8c-16
0.348
MAR-TRE-8190bb11-11
0.346
MAR-TRE-66ac689e-88
0.346
MAR-TRE-9d18ae8c-74
0.346
MAR-TRE-4f781e27-96
0.341
MAR-TRE-799db12b-4
0.341
MAR-TRE-9d18ae8c-62
0.340
MAR-TRE-8190bb11-51
0.338
MAK-UNK-129dcd6f-9
0.337
MAR-TRE-4f781e27-1
0.337
MAR-TRE-e82e6c98-74
0.333
MAR-TRE-4f781e27-14
0.333
MAR-TRE-66ac689e-30
0.333
MAR-TRE-92684b97-17
0.333
RAL-MED-2de63afb-12
0.333
MAR-TRE-c317dd82-91
0.333
GAB-REV-70cc3ca5-5
0.330
MAR-TRE-a9136c7b-76
0.330
MAR-TRE-799db12b-87
0.329
MAR-TRE-92684b97-96
0.329
MAR-TRE-66ac689e-98
0.329
MAR-TRE-9d18ae8c-69
0.329
MAR-TRE-799db12b-20
0.329
MAR-TRE-e82e6c98-50
0.329
MAR-TRE-8190bb11-10
0.329
MAR-TRE-9d18ae8c-15
0.329
MAR-TRE-8190bb11-85
0.329
MAR-TRE-c317dd82-23
0.326