Molecular Properties | |
SMILES: | Cc1nc(-c2cccc(CNC(=O)c3cncnc3)c2)n[nH]1 |
MW: | 294.12 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 96.45 |
cLogP: | 1.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-31
0.627
MAR-TRE-9d18ae8c-46
0.587
MAR-TRE-8190bb11-8
0.584
MAR-TRE-92684b97-81
0.568
MAR-TRE-9d18ae8c-6
0.560
MAR-TRE-66ac689e-37
0.513
MAR-TRE-66ac689e-73
0.513
MAR-TRE-9d18ae8c-53
0.506
MAR-TRE-799db12b-33
0.506
MAR-TRE-9d18ae8c-30
0.500
MAR-TRE-799db12b-16
0.500
MAR-TRE-799db12b-27
0.500
MAR-TRE-9d18ae8c-11
0.488
MAR-TRE-9d18ae8c-43
0.488
MAR-TRE-799db12b-24
0.487
MAR-TRE-9d18ae8c-54
0.487
MAR-TRE-799db12b-44
0.487
MAR-TRE-92684b97-82
0.481
MAR-TRE-66ac689e-1
0.476
MAR-TRE-799db12b-3
0.469
MAR-TRE-9d18ae8c-18
0.469
MAR-TRE-799db12b-2
0.469
MAR-TRE-799db12b-14
0.464
MAR-TRE-9d18ae8c-52
0.463
MAR-TRE-9d18ae8c-36
0.463
MAR-TRE-4f781e27-2
0.463
ERI-BAS-bd3ef700-1
0.458
MAR-TRE-9d18ae8c-7
0.458
MAR-TRE-92684b97-11
0.455
MAR-TRE-799db12b-51
0.452
MAR-TRE-799db12b-69
0.452
MAR-TRE-8190bb11-34
0.451
MAR-TRE-9d18ae8c-34
0.447
MAR-TRE-799db12b-97
0.447
MAR-TRE-92684b97-6
0.447
MAR-TRE-66ac689e-33
0.446
MAR-TRE-9d18ae8c-10
0.442
MAR-TRE-9d18ae8c-65
0.442
MAR-TRE-9d18ae8c-49
0.442
MAR-TRE-799db12b-76
0.437
MAR-TRE-9d18ae8c-16
0.437
MAR-TRE-66ac689e-12
0.430
MAR-TRE-be9ff7d2-17
0.430
MAR-TRE-66ac689e-54
0.430
MAR-TRE-799db12b-4
0.427
MAR-TRE-a9136c7b-11
0.418
MAR-TRE-799db12b-18
0.416
MAR-TRE-4f781e27-92
0.415
MAR-TRE-8190bb11-24
0.413
MAR-TRE-8190bb11-85
0.413
MAR-TRE-8190bb11-83
0.407
MAR-TRE-92684b97-78
0.405
MAR-TRE-4f781e27-88
0.405
MAR-TRE-8190bb11-13
0.403
MAR-TRE-799db12b-9
0.398
MAR-TRE-8190bb11-86
0.393
MAR-TRE-799db12b-35
0.392
MAR-TRE-4f781e27-99
0.392
MAR-TRE-66ac689e-26
0.390
MAR-TRE-be9ff7d2-90
0.385
MAR-TRE-4f781e27-28
0.378
MAR-TRE-9d18ae8c-89
0.375
MAR-TRE-c317dd82-37
0.372
MAR-TRE-e82e6c98-68
0.372
MAR-TRE-8190bb11-50
0.370
MAR-TRE-799db12b-84
0.366
MAR-TRE-4f781e27-55
0.365
MAR-TRE-4f781e27-83
0.364
MAR-TRE-66ac689e-69
0.363
MAR-TRE-c317dd82-32
0.362
MAR-TRE-66ac689e-21
0.360
MAR-TRE-92684b97-53
0.360
MAR-TRE-92684b97-91
0.360
MAR-TRE-be9ff7d2-67
0.360
MAR-TRE-be9ff7d2-99
0.360
MAR-TRE-8190bb11-82
0.357
MAR-TRE-9d18ae8c-74
0.357
MAR-TRE-92684b97-96
0.356
MAR-TRE-9d18ae8c-81
0.356
MAR-TRE-4f781e27-100
0.353
MAR-TRE-92684b97-44
0.353
MAR-TRE-a9136c7b-100
0.352
MAR-TRE-799db12b-59
0.352
MAR-TRE-e82e6c98-25
0.351
MAR-TRE-a9136c7b-31
0.351
MAR-TRE-e82e6c98-54
0.350
RED-RED-10c9212c-28
0.349
MAR-TRE-66ac689e-20
0.349
MAR-TRE-92684b97-74
0.346
MAR-TRE-8190bb11-42
0.346
MAR-TRE-be9ff7d2-11
0.346
MAR-TRE-9d18ae8c-48
0.345
MAR-TRE-c317dd82-49
0.344
MAR-TRE-4f781e27-49
0.342
MAR-TRE-e82e6c98-23
0.341
MAR-TRE-a9136c7b-28
0.341
MAR-TRE-e82e6c98-12
0.341
MAR-TRE-92684b97-54
0.341
MAR-TRE-66ac689e-98
0.341
MAR-TRE-799db12b-52
0.341