Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1c[nH]c2ccccc12)c1cncnc1 |
MW: | 296.09 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 107.97 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-52
0.710
MAR-TRE-9d18ae8c-8
0.542
MAR-TRE-92684b97-27
0.529
MAR-TRE-8190bb11-91
0.522
MAR-TRE-9d18ae8c-91
0.519
MAR-TRE-92684b97-50
0.507
MAR-TRE-9d18ae8c-64
0.472
MAR-TRE-799db12b-23
0.466
MAR-TRE-4f781e27-6
0.463
MAR-TRE-a9136c7b-66
0.452
MAR-TRE-4f781e27-69
0.451
MAR-TRE-92684b97-10
0.451
MAR-TRE-a9136c7b-36
0.440
MAR-TRE-92684b97-17
0.438
MAR-TRE-799db12b-95
0.437
MAR-TRE-e82e6c98-30
0.431
MAR-TRE-8190bb11-71
0.425
MAR-TRE-be9ff7d2-86
0.423
MAR-TRE-4f781e27-96
0.423
MAR-TRE-9d18ae8c-17
0.420
MAR-TRE-8190bb11-28
0.419
MAR-TRE-8190bb11-59
0.419
MAR-TRE-92684b97-35
0.419
MAR-TRE-9d18ae8c-28
0.416
MAR-TRE-c317dd82-41
0.414
MAR-TRE-8190bb11-54
0.408
MAR-TRE-4f781e27-40
0.403
MAR-TRE-8190bb11-98
0.403
MAR-TRE-66ac689e-93
0.397
MAR-TRE-4f781e27-94
0.395
MAR-TRE-92684b97-80
0.395
MAR-TRE-8190bb11-10
0.392
MAR-TRE-799db12b-61
0.390
MAR-TRE-799db12b-96
0.390
MAR-TRE-4f781e27-86
0.385
MAR-TRE-799db12b-79
0.375
MAR-TRE-8190bb11-14
0.373
BUT-SEX-9e782cc8-1
0.373
MAR-TRE-9d18ae8c-88
0.372
RED-RED-10c9212c-54
0.371
MAR-TRE-92684b97-5
0.369
MAR-TRE-be9ff7d2-9
0.368
MAR-TRE-be9ff7d2-10
0.368
MAR-TRE-8190bb11-48
0.364
MAR-TRE-4f781e27-14
0.362
MAR-TRE-92684b97-51
0.359
MAR-TRE-8190bb11-11
0.359
MAR-TRE-8190bb11-26
0.357
MAR-TRE-9d18ae8c-94
0.357
MAR-TRE-66ac689e-61
0.357
MAR-TRE-85681e92-53
0.356
MAR-TRE-9d18ae8c-20
0.356
MAR-TRE-92684b97-97
0.352
MAR-TRE-85681e92-68
0.349
MAR-TRE-66ac689e-91
0.345
MAR-TRE-92684b97-68
0.345
MAR-TRE-92684b97-99
0.342
MAR-TRE-9d18ae8c-85
0.342
MAR-TRE-4f781e27-45
0.341
MAR-TRE-be9ff7d2-84
0.341
MAR-TRE-a9136c7b-91
0.341
MAR-TRE-85681e92-33
0.341
MAR-TRE-9d18ae8c-60
0.341
MAR-TRE-85681e92-69
0.341
MAR-TRE-e82e6c98-20
0.338
MAR-TRE-4f781e27-91
0.338
MAR-TRE-66ac689e-84
0.337
MAR-TRE-9d18ae8c-99
0.337
MAR-TRE-66ac689e-77
0.337
MAR-TRE-9d18ae8c-26
0.337
MAR-TRE-92684b97-56
0.333
MAR-TRE-be9ff7d2-97
0.333
MAR-TRE-a9136c7b-22
0.333
MAR-TRE-a9136c7b-70
0.333
MAR-TRE-4f781e27-5
0.333
MAR-TRE-4f781e27-93
0.333
MAR-TRE-9d18ae8c-67
0.333
MAR-TRE-be9ff7d2-7
0.330
MAR-TRE-9d18ae8c-9
0.330
MAR-TRE-92684b97-98
0.330
MAR-TRE-92684b97-53
0.329
MAR-TRE-9d18ae8c-80
0.329
MAR-TRE-8190bb11-6
0.329
MAR-TRE-4f781e27-4
0.329
MAR-TRE-9d18ae8c-97
0.329
MAR-TRE-799db12b-55
0.329
MAR-TRE-66ac689e-42
0.329
MAR-TRE-66ac689e-72
0.329
MAR-TRE-4f781e27-39
0.329
MAR-TRE-be9ff7d2-47
0.329
MAR-TRE-4f781e27-26
0.326
MAR-TRE-4f781e27-27
0.326
MAR-TRE-be9ff7d2-68
0.325
MAR-TRE-66ac689e-81
0.325
MAR-TRE-8190bb11-56
0.325
MAR-TRE-92684b97-41
0.325
MAR-TRE-e82e6c98-70
0.325
MAR-TRE-c317dd82-38
0.323
MAR-TRE-9d18ae8c-50
0.322
MAR-TRE-66ac689e-22
0.321