Molecular Properties | |
SMILES: | O=C(Nc1cccc(N2C(=O)CCNC2=O)c1)c1cncnc1 |
MW: | 311.1 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 104.29 |
cLogP: | 1.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-a9136c7b-57
0.595
MAR-TRE-66ac689e-31
0.468
MAR-TRE-9d18ae8c-2
0.430
MAR-TRE-66ac689e-8
0.425
MAR-TRE-799db12b-39
0.412
MAR-TRE-799db12b-34
0.405
MAR-TRE-799db12b-86
0.405
MAR-TRE-799db12b-25
0.400
MAR-TRE-799db12b-40
0.400
MAR-TRE-66ac689e-76
0.398
MAR-TRE-66ac689e-10
0.391
MAR-TRE-92684b97-55
0.390
MAR-TRE-4f781e27-2
0.388
MAR-TRE-799db12b-43
0.388
MAR-TRE-9d18ae8c-58
0.383
MAR-TRE-799db12b-37
0.379
MAR-TRE-66ac689e-25
0.376
MAR-TRE-799db12b-2
0.376
MAR-TRE-8190bb11-4
0.376
MAR-TRE-4f781e27-47
0.372
MAR-TRE-9d18ae8c-9
0.368
MAR-TRE-66ac689e-51
0.366
MAR-TRE-9d18ae8c-77
0.364
MAR-TRE-9d18ae8c-18
0.360
MAR-TRE-799db12b-36
0.360
MAR-TRE-4f781e27-43
0.358
MAR-TRE-c317dd82-59
0.356
MAR-TRE-799db12b-49
0.356
MAK-UNK-c8c8f7e2-14
0.355
MAK-UNK-7a704a63-2
0.355
SAD-SAT-24589cd1-2
0.354
MAR-TRE-66ac689e-72
0.354
MAR-TRE-9d18ae8c-7
0.352
MAR-TRE-8190bb11-65
0.350
MAR-TRE-9d18ae8c-15
0.350
MAR-TRE-66ac689e-40
0.349
MAR-TRE-9d18ae8c-11
0.348
MAR-TRE-799db12b-69
0.348
MAR-TRE-9d18ae8c-29
0.345
MAR-TRE-be9ff7d2-46
0.345
MAK-UNK-1e8f9e3c-5
0.344
MAK-UNK-1e8f9e3c-3
0.344
MAK-UNK-1e8f9e3c-2
0.344
MAR-TRE-92684b97-89
0.341
MAR-TRE-c317dd82-16
0.341
MAK-UNK-9159f8ed-6
0.341
MAK-UNK-1e8f9e3c-1
0.341
MAR-TRE-9d18ae8c-10
0.341
MAR-TRE-9d18ae8c-65
0.341
MAR-TRE-e82e6c98-24
0.341
MAK-UNK-10dfa458-25
0.340
MAR-TRE-799db12b-76
0.337
MAR-TRE-c317dd82-45
0.333
MAR-TRE-799db12b-1
0.330
MAR-TRE-92684b97-6
0.330
MAR-TRE-799db12b-14
0.330
MAR-TRE-9d18ae8c-34
0.330
MAR-TRE-9d18ae8c-82
0.330
RAL-MED-2de63afb-4
0.330
MAR-TRE-799db12b-3
0.330
MAR-TRE-799db12b-24
0.330
MAR-TRE-66ac689e-24
0.330
MAR-TRE-66ac689e-37
0.329
MAR-TRE-66ac689e-2
0.329
MAR-TRE-8190bb11-90
0.326
MAR-TRE-66ac689e-65
0.326
MAR-TRE-9d18ae8c-53
0.326
MAK-UNK-7a704a63-1
0.325
MAK-UNK-6435e6c2-4
0.325
KIM-UNI-60f168f5-2
0.324
MAR-TRE-a9136c7b-11
0.323
MAR-TRE-9d18ae8c-16
0.323
MAR-TRE-799db12b-99
0.322
MAR-TRE-4f781e27-52
0.322
MAR-TRE-799db12b-16
0.322
MAR-TRE-799db12b-27
0.322
MAR-TRE-4f781e27-31
0.321
MAK-UNK-10dfa458-3
0.321
MAR-TRE-e82e6c98-80
0.321
MAK-UNK-7a704a63-8
0.321
MAK-UNK-c8c8f7e2-15
0.321
MAR-TRE-799db12b-17
0.319
MAR-TRE-a9136c7b-76
0.319
MAR-TRE-799db12b-51
0.319
MAR-TRE-66ac689e-29
0.318
MAR-TRE-66ac689e-45
0.318
MAR-TRE-66ac689e-88
0.317
MAK-UNK-c8c8f7e2-13
0.316
MAK-UNK-7a704a63-3
0.316
MAR-TRE-4f781e27-49
0.316
MAR-TRE-c317dd82-23
0.316
BAR-COM-4e090d3a-60
0.315
MAR-TRE-799db12b-97
0.315
MAR-TRE-e82e6c98-38
0.315
MAR-TRE-e82e6c98-10
0.315
MAR-TRE-799db12b-33
0.315
MAR-TRE-9d18ae8c-54
0.315
MAR-TRE-4f781e27-63
0.314
MAK-UNK-c8c8f7e2-17
0.313
MAR-TRE-a9136c7b-10
0.312