Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)c2cncnc2)c(-n2cncn2)n1 |
MW: | 295.12 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 98.48 |
cLogP: | 0.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-82
0.468
MAR-TRE-8190bb11-81
0.412
MAR-TRE-92684b97-78
0.392
MAR-TRE-be9ff7d2-90
0.390
MAR-TRE-c317dd82-55
0.388
MAR-TRE-92684b97-11
0.388
MAR-TRE-e82e6c98-60
0.386
MAR-TRE-8190bb11-42
0.385
MAR-TRE-8190bb11-24
0.382
MAR-TRE-8190bb11-85
0.382
MAR-TRE-92684b97-54
0.378
MAR-TRE-e82e6c98-12
0.378
MAR-TRE-e82e6c98-68
0.377
MAR-TRE-e82e6c98-5
0.376
MAR-TRE-be9ff7d2-18
0.373
MAR-TRE-be9ff7d2-82
0.372
MAR-TRE-8190bb11-13
0.372
MAR-TRE-8190bb11-27
0.370
MAR-TRE-e82e6c98-91
0.369
MAR-TRE-4f781e27-83
0.368
MAR-TRE-e82e6c98-57
0.367
MAR-TRE-799db12b-89
0.365
MAR-TRE-8190bb11-73
0.365
MAR-TRE-92684b97-53
0.365
MAR-TRE-799db12b-35
0.362
MAR-TRE-4f781e27-99
0.362
MAR-TRE-9d18ae8c-89
0.362
MAR-TRE-799db12b-7
0.360
MAR-TRE-66ac689e-29
0.360
MAR-TRE-e82e6c98-35
0.357
MAR-TRE-66ac689e-74
0.356
MAR-TRE-9d18ae8c-53
0.353
MAR-TRE-8190bb11-80
0.352
MAR-TRE-4f781e27-48
0.352
MAR-TRE-a9136c7b-80
0.352
MAR-TRE-c317dd82-74
0.352
MAR-TRE-66ac689e-47
0.352
MAR-TRE-92684b97-74
0.350
MAR-TRE-be9ff7d2-11
0.350
MAR-TRE-66ac689e-12
0.349
MAR-TRE-be9ff7d2-17
0.349
MAR-TRE-66ac689e-21
0.349
MAR-TRE-9d18ae8c-6
0.349
MAR-TRE-799db12b-27
0.349
MAR-TRE-92684b97-82
0.349
MAR-TRE-799db12b-16
0.349
MAR-TRE-be9ff7d2-99
0.348
MAR-TRE-be9ff7d2-67
0.347
MAR-TRE-e82e6c98-23
0.346
MAR-TRE-66ac689e-26
0.345
MAR-TRE-799db12b-52
0.345
MAR-TRE-be9ff7d2-92
0.345
MAR-TRE-e82e6c98-64
0.345
MAR-TRE-8190bb11-8
0.344
MAR-TRE-8190bb11-31
0.344
MAR-TRE-c317dd82-67
0.344
MAR-TRE-8190bb11-50
0.341
MAR-TRE-be9ff7d2-1
0.341
MAR-TRE-66ac689e-37
0.341
MAR-TRE-66ac689e-73
0.341
MAR-TRE-92684b97-44
0.341
MAR-TRE-799db12b-59
0.341
MAR-TRE-92684b97-64
0.341
MAR-TRE-4f781e27-75
0.341
MAR-TRE-8190bb11-34
0.341
MAR-TRE-799db12b-65
0.341
MAR-TRE-799db12b-64
0.341
MAR-TRE-4f781e27-85
0.338
MAR-TRE-799db12b-84
0.337
MAR-TRE-be9ff7d2-89
0.337
MAR-TRE-799db12b-44
0.337
MAR-TRE-66ac689e-20
0.337
MAR-TRE-a9136c7b-24
0.337
MAR-TRE-92684b97-81
0.337
MAR-TRE-c317dd82-26
0.337
MAR-TRE-e82e6c98-97
0.337
MAR-TRE-8190bb11-83
0.333
MAR-TRE-799db12b-76
0.333
MAR-TRE-e82e6c98-16
0.333
MAR-TRE-e82e6c98-26
0.333
MAR-TRE-a9136c7b-54
0.333
MAR-TRE-66ac689e-1
0.333
MAR-TRE-be9ff7d2-98
0.333
MAR-TRE-4f781e27-11
0.330
MAR-TRE-9d18ae8c-11
0.330
MAR-TRE-9d18ae8c-43
0.330
MAR-TRE-92684b97-96
0.330
MAR-TRE-9d18ae8c-81
0.330
MAR-TRE-c317dd82-81
0.330
MAR-TRE-be9ff7d2-40
0.329
MAR-TRE-9d18ae8c-74
0.329
MAR-TRE-4f781e27-49
0.329
MAR-TRE-799db12b-98
0.326
MAR-TRE-799db12b-14
0.326
MAR-TRE-c317dd82-83
0.326
MAR-TRE-799db12b-33
0.326
MAR-TRE-9d18ae8c-54
0.326
MAR-TRE-799db12b-24
0.326
MAR-TRE-9c797165-34
0.326
MAR-TRE-799db12b-72
0.322