Molecular Properties | |
SMILES: | CNC(=O)c1ccc2nc(C(C)NC(=O)c3cncnc3)[nH]c(=O)c2c1 |
MW: | 352.13 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 129.73 |
cLogP: | 0.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-72
0.405
MAR-TRE-66ac689e-27
0.379
MAR-TRE-799db12b-100
0.379
MAR-TRE-799db12b-36
0.376
MAR-TRE-8190bb11-28
0.373
MAR-TRE-799db12b-49
0.372
MAR-TRE-9d18ae8c-9
0.370
MAR-TRE-799db12b-32
0.368
MAR-TRE-799db12b-73
0.364
MAR-TRE-66ac689e-22
0.364
MAR-TRE-8190bb11-71
0.361
MAR-TRE-8190bb11-98
0.360
MAR-TRE-66ac689e-66
0.360
MAR-TRE-799db12b-45
0.358
MAR-TRE-92684b97-17
0.357
MAR-TRE-66ac689e-93
0.356
MAR-TRE-9d18ae8c-80
0.356
MAR-TRE-8190bb11-11
0.353
MAR-TRE-8190bb11-10
0.352
MAR-TRE-66ac689e-45
0.352
MAR-TRE-8190bb11-5
0.349
MAR-TRE-799db12b-82
0.348
MAR-TRE-66ac689e-77
0.348
MAR-TRE-a9136c7b-82
0.348
MAR-TRE-a9136c7b-19
0.347
MAR-TRE-92684b97-35
0.341
MAR-TRE-8190bb11-59
0.341
MAR-TRE-9d18ae8c-28
0.341
MAR-TRE-92684b97-86
0.341
MAR-TRE-799db12b-95
0.337
MAR-TRE-4f781e27-59
0.337
MAR-TRE-66ac689e-84
0.333
MAR-TRE-9d18ae8c-8
0.333
MAR-TRE-66ac689e-3
0.333
MAR-TRE-66ac689e-41
0.333
MAR-TRE-92684b97-77
0.333
MAR-TRE-8190bb11-90
0.330
MAR-TRE-66ac689e-97
0.330
MAR-TRE-799db12b-99
0.326
MAR-TRE-4f781e27-14
0.326
MAR-TRE-8190bb11-48
0.326
MAR-TRE-e82e6c98-72
0.326
MAR-TRE-be9ff7d2-68
0.322
MAR-TRE-92684b97-85
0.322
MAR-TRE-92684b97-80
0.322
MAR-TRE-9d18ae8c-64
0.322
MAR-TRE-8190bb11-91
0.321
MAR-TRE-9d18ae8c-62
0.320
MAR-TRE-8190bb11-35
0.320
MAR-TRE-be9ff7d2-86
0.319
MAR-TRE-799db12b-96
0.318
MAR-TRE-8190bb11-97
0.318
MAR-TRE-799db12b-23
0.318
MAR-TRE-e82e6c98-30
0.318
MAR-TRE-9d18ae8c-59
0.318
MAR-TRE-c317dd82-41
0.317
MAR-TRE-8190bb11-25
0.315
MAR-TRE-4f781e27-51
0.315
MAR-TRE-92684b97-27
0.314
MAR-TRE-92684b97-50
0.314
MAR-TRE-92684b97-87
0.314
MAR-TRE-c317dd82-48
0.313
MAR-TRE-92684b97-92
0.312
MAR-TRE-92684b97-2
0.312
MAR-TRE-92684b97-98
0.312
MAR-TRE-66ac689e-92
0.312
MAR-TRE-4f781e27-56
0.312
MAR-TRE-92684b97-100
0.312
MAR-TRE-799db12b-55
0.311
MAR-TRE-9d18ae8c-97
0.311
MAR-TRE-a9136c7b-13
0.310
MAR-TRE-be9ff7d2-47
0.310
MAR-TRE-92684b97-1
0.309
MAR-TRE-92684b97-93
0.309
MAR-TRE-8190bb11-14
0.309
MAR-TRE-4f781e27-71
0.309
MAR-TRE-9d18ae8c-94
0.309
MAR-TRE-8190bb11-26
0.309
MAR-TRE-9d18ae8c-60
0.309
MAR-TRE-66ac689e-68
0.308
MAR-TRE-4f781e27-45
0.308
MAR-TRE-be9ff7d2-84
0.308
MAR-TRE-799db12b-79
0.308
MAR-TRE-be9ff7d2-6
0.308
MAR-TRE-9d18ae8c-21
0.307
MAR-TRE-92684b97-51
0.307
MAR-TRE-92684b97-99
0.307
MAR-TRE-9d18ae8c-85
0.307
MAR-TRE-a9136c7b-66
0.307
MAR-TRE-9d18ae8c-26
0.306
MAR-TRE-92684b97-97
0.306
MAR-TRE-e82e6c98-70
0.306
MAR-TRE-66ac689e-87
0.305
MAR-TRE-4f781e27-38
0.305
MAR-TRE-92684b97-5
0.305
MAR-TRE-92684b97-36
0.305
MAR-TRE-9d18ae8c-4
0.305
MAR-TRE-e82e6c98-88
0.305
MAR-TRE-9d18ae8c-17
0.305
MAR-TRE-799db12b-50
0.304