Molecular Properties | |
SMILES: | O=C(NC(c1cccnc1)C1CCCCC1)c1cncnc1 |
MW: | 296.16 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-77
0.493
MAR-TRE-8190bb11-56
0.493
MAR-TRE-9d18ae8c-37
0.467
MAR-TRE-a9136c7b-93
0.455
MAR-TRE-4f781e27-68
0.455
MAR-TRE-4f781e27-20
0.438
MAR-TRE-92684b97-36
0.425
MAR-TRE-be9ff7d2-12
0.418
MAR-TRE-be9ff7d2-29
0.412
MAR-TRE-c317dd82-85
0.410
MAR-TRE-92684b97-100
0.400
MAR-TRE-be9ff7d2-35
0.400
MED-UNK-e6e8ef8a-1
0.397
MAR-TRE-a9136c7b-29
0.395
MAR-TRE-4f781e27-29
0.395
MAR-TRE-a9136c7b-82
0.390
MAR-TRE-be9ff7d2-55
0.390
MAR-TRE-799db12b-62
0.381
MAR-TRE-92684b97-3
0.372
MAR-TRE-9d18ae8c-67
0.372
MAR-TRE-92684b97-35
0.368
MAR-TRE-4f781e27-45
0.362
MAR-TRE-66ac689e-45
0.361
MAR-TRE-c317dd82-71
0.361
MED-UNK-e6e8ef8a-7
0.360
MAR-TRE-66ac689e-41
0.359
MAR-TRE-92684b97-77
0.359
NAM-UNK-f7c77a48-2
0.359
MAR-TRE-8190bb11-71
0.355
MAR-TRE-4f781e27-51
0.354
MAR-TRE-92684b97-16
0.353
SAN-PRS-52b81272-1
0.351
MAR-TRE-8190bb11-28
0.351
MAR-TRE-92684b97-17
0.351
MAR-TRE-8190bb11-48
0.351
MAR-TRE-8190bb11-59
0.351
MAR-TRE-66ac689e-72
0.350
MAR-TRE-92684b97-86
0.350
MAR-TRE-66ac689e-93
0.350
MAR-TRE-4f781e27-14
0.350
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-8190bb11-11
0.346
MAR-TRE-66ac689e-68
0.346
MAR-TRE-92684b97-85
0.346
MAR-TRE-92684b97-15
0.346
MAR-TRE-4f781e27-71
0.345
MAR-TRE-9d18ae8c-86
0.345
MAR-TRE-c317dd82-41
0.342
MAR-TRE-66ac689e-58
0.342
MAR-TRE-799db12b-73
0.341
MAR-TRE-92684b97-18
0.341
MAR-TRE-66ac689e-60
0.341
MAR-TRE-be9ff7d2-78
0.341
MAR-TRE-92684b97-87
0.338
MAR-TRE-92684b97-50
0.338
MAR-TRE-66ac689e-97
0.337
MAR-TRE-9d18ae8c-41
0.337
MAR-TRE-a9136c7b-47
0.337
MAR-TRE-8190bb11-90
0.337
NIM-UNI-bb9030bf-10
0.337
MAR-TRE-9d18ae8c-22
0.337
MAR-TRE-92684b97-12
0.337
MAR-TRE-8190bb11-6
0.333
MAR-TRE-9d18ae8c-9
0.333
MAR-TRE-be9ff7d2-47
0.333
MAR-TRE-66ac689e-92
0.333
MAR-TRE-9d18ae8c-80
0.333
MAR-TRE-799db12b-8
0.330
MAR-TRE-66ac689e-61
0.329
MAR-TRE-be9ff7d2-6
0.329
MAR-TRE-8190bb11-10
0.329
MAR-TRE-92684b97-51
0.329
MAR-TRE-799db12b-95
0.329
MAR-TRE-8190bb11-91
0.329
MAR-TRE-a9136c7b-86
0.326
MAR-TRE-799db12b-36
0.326
MAR-TRE-8190bb11-35
0.326
MAR-TRE-a9136c7b-74
0.326
MAR-TRE-c317dd82-97
0.326
MAR-TRE-e82e6c98-79
0.325
MAR-TRE-66ac689e-84
0.325
MAR-TRE-66ac689e-85
0.325
MAR-TRE-e82e6c98-34
0.325
MAR-TRE-66ac689e-22
0.325
MAR-TRE-66ac689e-27
0.325
MAR-TRE-4f781e27-44
0.325
MAR-TRE-9d18ae8c-99
0.325
MAR-TRE-799db12b-61
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-8190bb11-5
0.325
MAR-TRE-92684b97-63
0.325
MAR-TRE-4f781e27-70
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-66ac689e-62
0.325
MAK-UNK-2c1752f0-2
0.323
MAR-TRE-799db12b-19
0.322
MAR-TRE-799db12b-49
0.322
MAR-TRE-8190bb11-93
0.322
MAR-TRE-9d18ae8c-51
0.322
MAR-TRE-66ac689e-94
0.321