Molecular Properties | |
SMILES: | O=C(CNC(=O)c1cncnc1)NCc1ccncc1 |
MW: | 271.11 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 96.87 |
cLogP: | -0.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-799db12b-84
0.667
MAR-TRE-799db12b-97
0.500
MAR-TRE-4f781e27-49
0.469
MAR-TRE-c317dd82-63
0.463
MAR-TRE-e82e6c98-77
0.455
MAR-TRE-4f781e27-43
0.449
MAR-TRE-8190bb11-85
0.446
MAR-TRE-92684b97-78
0.438
MAR-TRE-4f781e27-19
0.435
MAR-TRE-92684b97-96
0.432
MAR-TRE-92684b97-89
0.425
MAR-TRE-8190bb11-24
0.424
MAR-TRE-c317dd82-35
0.423
MAR-TRE-be9ff7d2-17
0.423
MAR-TRE-9d18ae8c-48
0.423
MAR-TRE-9d18ae8c-89
0.420
MAR-TRE-9d18ae8c-74
0.417
MAR-TRE-a9136c7b-28
0.417
MAR-TRE-8190bb11-13
0.412
MAR-TRE-4f781e27-96
0.411
MAR-TRE-799db12b-2
0.408
MAR-TRE-a9136c7b-51
0.408
MAR-TRE-4f781e27-39
0.406
MAR-TRE-9d18ae8c-53
0.405
MAR-TRE-8190bb11-86
0.400
MAR-TRE-4f781e27-99
0.400
MAR-TRE-799db12b-35
0.400
MAR-TRE-66ac689e-26
0.397
MAR-TRE-8190bb11-50
0.394
MAR-TRE-799db12b-39
0.392
MAR-TRE-66ac689e-37
0.392
MAR-TRE-66ac689e-20
0.387
MAR-TRE-4f781e27-2
0.385
MAR-TRE-66ac689e-28
0.384
MAR-TRE-92684b97-53
0.382
MAR-TRE-799db12b-27
0.382
MAR-TRE-799db12b-52
0.377
MAR-TRE-66ac689e-34
0.377
MAR-TRE-4f781e27-100
0.373
AAR-UNI-c25c2f1e-70
0.372
MAR-TRE-9d18ae8c-46
0.372
MAR-TRE-9d18ae8c-54
0.372
MAR-TRE-799db12b-24
0.372
MAR-TRE-799db12b-33
0.372
MAR-TRE-4f781e27-85
0.371
MAR-TRE-92684b97-11
0.370
MAR-TRE-4f781e27-92
0.368
MAR-TRE-92684b97-81
0.368
MAR-TRE-e82e6c98-91
0.368
MAR-TRE-799db12b-72
0.367
MAR-TRE-8190bb11-42
0.366
MAR-TRE-66ac689e-12
0.365
MAR-TRE-be9ff7d2-67
0.364
MAR-TRE-799db12b-16
0.364
MAR-TRE-66ac689e-21
0.364
MAR-TRE-e82e6c98-70
0.362
MAR-TRE-799db12b-76
0.361
MAR-TRE-8190bb11-81
0.360
MAR-TRE-e82e6c98-95
0.359
MAR-TRE-9d18ae8c-43
0.358
MAR-TRE-66ac689e-58
0.357
MAR-TRE-be9ff7d2-1
0.356
MAR-TRE-e82e6c98-9
0.356
MAR-TRE-66ac689e-73
0.355
MAR-TRE-9d18ae8c-18
0.354
MAR-TRE-8190bb11-34
0.354
MAR-TRE-92684b97-64
0.354
MAR-TRE-799db12b-3
0.354
MAR-TRE-92684b97-6
0.354
MAR-TRE-9d18ae8c-34
0.354
MAR-TRE-be9ff7d2-90
0.352
MAR-TRE-8190bb11-40
0.351
MAR-TRE-799db12b-44
0.351
MAR-TRE-9d18ae8c-52
0.350
MAR-TRE-8190bb11-80
0.350
MAR-TRE-66ac689e-33
0.350
MAR-TRE-9d18ae8c-30
0.350
MAR-TRE-a9136c7b-80
0.350
MAR-TRE-4f781e27-28
0.347
MAR-TRE-a9136c7b-54
0.347
MAR-TRE-be9ff7d2-98
0.347
MAR-TRE-be9ff7d2-14
0.346
MAR-TRE-799db12b-89
0.346
MAR-TRE-8190bb11-88
0.346
MAR-TRE-92684b97-82
0.346
MAR-TRE-9d18ae8c-6
0.346
MAR-TRE-9d18ae8c-7
0.346
MAR-TRE-66ac689e-1
0.346
MAR-TRE-9d18ae8c-16
0.345
MAR-TRE-9d18ae8c-87
0.342
MAR-TRE-8190bb11-96
0.342
MAR-TRE-4f781e27-84
0.342
MAR-TRE-8190bb11-82
0.342
MAR-TRE-92684b97-54
0.342
MAR-TRE-e82e6c98-50
0.342
MAR-TRE-4f781e27-88
0.342
MAR-TRE-92684b97-37
0.342
MAR-TRE-9d18ae8c-81
0.342
MAR-TRE-c317dd82-81
0.342
MAR-TRE-8190bb11-8
0.341