Molecular Properties | |
SMILES: | Cc1nnc(O)c(CNC(=O)c2cncnc2)c1C |
MW: | 259.11 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 100.89 |
cLogP: | 0.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-be9ff7d2-67
0.492
MAR-TRE-92684b97-74
0.485
MAR-TRE-92684b97-11
0.423
MAR-TRE-8190bb11-24
0.418
MAR-TRE-e82e6c98-68
0.412
MAR-TRE-9d18ae8c-74
0.411
MAR-TRE-92684b97-78
0.409
MAR-TRE-4f781e27-100
0.405
MAR-TRE-8190bb11-85
0.397
MAR-TRE-8190bb11-73
0.395
MAR-TRE-92684b97-96
0.390
MAR-TRE-be9ff7d2-90
0.386
MAR-TRE-8190bb11-13
0.386
MAR-TRE-92684b97-64
0.385
MAR-TRE-c317dd82-55
0.384
MAR-TRE-e82e6c98-57
0.380
MAR-TRE-9d18ae8c-55
0.380
MAR-TRE-be9ff7d2-17
0.378
MAR-TRE-e82e6c98-16
0.378
MAR-TRE-66ac689e-12
0.378
MAR-TRE-e82e6c98-18
0.377
MAR-TRE-799db12b-35
0.375
MAR-TRE-4f781e27-99
0.375
MAR-TRE-e82e6c98-12
0.373
MAR-TRE-be9ff7d2-92
0.372
MAR-TRE-8190bb11-50
0.370
MAR-TRE-be9ff7d2-1
0.370
MAR-TRE-be9ff7d2-82
0.367
MAR-TRE-e82e6c98-60
0.364
MAR-TRE-9d18ae8c-53
0.364
MAR-TRE-e82e6c98-97
0.362
MAR-TRE-c317dd82-74
0.362
MAR-TRE-8190bb11-42
0.361
MAR-TRE-a9136c7b-54
0.360
MAR-TRE-e82e6c98-23
0.356
MAR-TRE-9d18ae8c-89
0.356
MAR-TRE-92684b97-54
0.355
MAR-TRE-be9ff7d2-34
0.355
MAR-TRE-be9ff7d2-40
0.355
MAR-TRE-8190bb11-82
0.355
MAR-TRE-e82e6c98-64
0.354
MAR-TRE-4f781e27-65
0.354
MAR-TRE-66ac689e-59
0.351
MAR-TRE-be9ff7d2-18
0.351
MAR-TRE-e82e6c98-35
0.351
MAR-TRE-66ac689e-37
0.351
MAR-TRE-66ac689e-73
0.351
MAR-TRE-a9136c7b-100
0.350
MAR-TRE-66ac689e-74
0.350
MAR-TRE-c317dd82-83
0.349
MAR-TRE-e82e6c98-75
0.347
MAR-TRE-e82e6c98-91
0.346
MAR-TRE-799db12b-44
0.346
MAR-TRE-9d18ae8c-84
0.346
MAR-TRE-be9ff7d2-89
0.346
MAR-TRE-a9136c7b-24
0.346
MAR-TRE-8190bb11-40
0.346
MAR-TRE-92684b97-81
0.346
MAR-TRE-4f781e27-83
0.346
MAR-TRE-8190bb11-80
0.346
MAR-TRE-e82e6c98-26
0.342
MAR-TRE-9d18ae8c-48
0.342
MAR-TRE-4f781e27-22
0.342
MAR-TRE-c317dd82-35
0.342
MAR-TRE-be9ff7d2-98
0.342
MAR-TRE-4f781e27-28
0.342
MAR-TRE-799db12b-89
0.342
MAR-TRE-e82e6c98-8
0.342
MAR-TRE-799db12b-16
0.342
MAR-TRE-799db12b-27
0.342
MAR-TRE-8190bb11-88
0.342
MAR-TRE-92684b97-53
0.342
MAR-TRE-92684b97-82
0.342
MAR-TRE-9d18ae8c-6
0.342
MAR-TRE-e82e6c98-42
0.340
MAR-TRE-4f781e27-49
0.338
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-66ac689e-26
0.338
MAR-TRE-a9136c7b-28
0.338
MAR-TRE-8190bb11-81
0.338
MAR-TRE-e82e6c98-29
0.338
MAR-TRE-e82e6c98-5
0.338
MAR-TRE-e82e6c98-95
0.338
MAR-TRE-4f781e27-88
0.338
MAR-TRE-be9ff7d2-81
0.338
MAR-TRE-9d18ae8c-81
0.338
MAR-TRE-8190bb11-8
0.337
MAR-TRE-8190bb11-31
0.337
MAR-TRE-9d18ae8c-11
0.337
MAR-TRE-9d18ae8c-43
0.337
MAR-TRE-be9ff7d2-60
0.333
MAR-TRE-799db12b-24
0.333
MAR-TRE-8190bb11-33
0.333
MAR-TRE-799db12b-33
0.333
MAR-TRE-799db12b-98
0.333
MAR-TRE-8190bb11-34
0.333
MAR-TRE-4f781e27-75
0.333
MAR-TRE-4f781e27-76
0.333
MAR-TRE-92684b97-44
0.333
MAR-TRE-9d18ae8c-54
0.333