Molecular Properties | |
SMILES: | O=C(NCc1cccc(NC(=O)C2CCCO2)c1)c1cncnc1 |
MW: | 326.14 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 93.21 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-34
0.688
MAR-TRE-9d18ae8c-16
0.671
MAR-TRE-799db12b-51
0.654
MAR-TRE-66ac689e-37
0.605
MAR-TRE-799db12b-14
0.605
MAR-TRE-9d18ae8c-53
0.597
MAR-TRE-799db12b-3
0.595
MAR-TRE-799db12b-16
0.590
MAR-TRE-799db12b-27
0.590
MAR-TRE-799db12b-24
0.575
MAR-TRE-799db12b-33
0.575
MAR-TRE-9d18ae8c-18
0.575
MAR-TRE-9d18ae8c-54
0.575
MAR-TRE-799db12b-2
0.575
MAR-TRE-9d18ae8c-30
0.568
MAR-TRE-9d18ae8c-36
0.568
MAR-TRE-9d18ae8c-52
0.568
MAR-TRE-4f781e27-2
0.568
MAR-TRE-799db12b-97
0.566
MAR-TRE-a9136c7b-11
0.563
MAR-TRE-9d18ae8c-7
0.561
MAR-TRE-9d18ae8c-10
0.560
MAR-TRE-9d18ae8c-11
0.554
MAR-TRE-9d18ae8c-43
0.554
MAR-TRE-92684b97-6
0.548
MAR-TRE-799db12b-76
0.535
MAR-TRE-799db12b-18
0.529
MAR-TRE-66ac689e-73
0.525
MAR-TRE-9d18ae8c-49
0.489
MAR-TRE-799db12b-69
0.466
MAR-TRE-66ac689e-54
0.461
MAR-TRE-9d18ae8c-65
0.456
MAR-TRE-9d18ae8c-46
0.448
MAR-TRE-92684b97-81
0.447
MAR-TRE-9d18ae8c-6
0.442
MAR-TRE-66ac689e-1
0.438
MAR-TRE-8190bb11-8
0.433
MAR-TRE-8190bb11-31
0.433
MAR-TRE-799db12b-44
0.430
MAR-TRE-66ac689e-33
0.427
MAR-TRE-8190bb11-80
0.427
MAR-TRE-92684b97-82
0.425
AAR-UNI-c25c2f1e-3
0.416
MAR-TRE-8190bb11-34
0.416
RAL-MED-2de63afb-12
0.412
MAR-TRE-4f781e27-88
0.404
MAR-TRE-4f781e27-92
0.398
MAR-TRE-be9ff7d2-17
0.395
MAR-TRE-66ac689e-12
0.395
KEN-ILL-f8fa3277-2
0.392
MAR-TRE-be9ff7d2-81
0.389
MAR-TRE-799db12b-9
0.384
MAR-TRE-92684b97-11
0.384
MAR-TRE-e82e6c98-25
0.381
AAR-POS-0daf6b7e-41
0.380
AAR-UNI-c25c2f1e-65
0.379
MAR-TRE-8190bb11-85
0.378
MAR-TRE-66ac689e-21
0.378
MAR-TRE-8190bb11-86
0.378
MAR-TRE-799db12b-40
0.376
MAR-TRE-799db12b-7
0.374
MAR-TRE-66ac689e-31
0.374
MAR-TRE-9d18ae8c-2
0.371
MAR-TRE-92684b97-78
0.370
MAR-TRE-a9136c7b-14
0.369
MAR-TRE-4f781e27-43
0.368
MAR-TRE-92684b97-55
0.367
MAR-TRE-4f781e27-47
0.366
MAR-TRE-4f781e27-28
0.364
MAR-TRE-a9136c7b-4
0.363
MAR-TRE-8190bb11-24
0.361
MAR-TRE-4f781e27-99
0.360
MAR-TRE-799db12b-35
0.360
MAR-TRE-9d18ae8c-89
0.360
AAR-UNI-c25c2f1e-24
0.360
MAR-TRE-66ac689e-26
0.360
MAR-TRE-799db12b-52
0.359
MAR-TRE-4f781e27-100
0.356
MAR-TRE-8190bb11-4
0.355
MAR-TRE-a9136c7b-31
0.354
MAR-TRE-be9ff7d2-90
0.353
MAR-TRE-8190bb11-13
0.353
MAR-TRE-92684b97-89
0.352
MAR-TRE-8190bb11-39
0.351
MAR-TRE-4f781e27-22
0.348
MAR-TRE-92684b97-53
0.348
MAR-TRE-8190bb11-83
0.347
MAR-TRE-be9ff7d2-67
0.346
MAR-TRE-4f781e27-49
0.345
MAR-TRE-9d18ae8c-81
0.344
MAR-TRE-be9ff7d2-95
0.344
MAR-TRE-8190bb11-50
0.341
MAR-TRE-e82e6c98-35
0.341
MAR-TRE-799db12b-39
0.341
MAR-TRE-4f781e27-76
0.341
MAR-TRE-799db12b-59
0.340
MAR-TRE-8190bb11-99
0.340
MAR-TRE-92684b97-52
0.337
MAR-TRE-66ac689e-20
0.337
MAR-TRE-e82e6c98-53
0.337