Molecular Properties | |
SMILES: | O=C(NCc1cccc(C(=O)NCC2CCCO2)c1)c1cncnc1 |
MW: | 340.15 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 93.21 |
cLogP: | 1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-33
0.575
MAR-TRE-799db12b-4
0.529
MAR-TRE-9d18ae8c-34
0.483
MAR-TRE-9d18ae8c-36
0.482
MAR-TRE-9d18ae8c-16
0.472
MAR-TRE-799db12b-51
0.471
MAR-TRE-66ac689e-54
0.466
MAR-TRE-9d18ae8c-10
0.461
MAR-TRE-799db12b-3
0.453
MAR-TRE-799db12b-14
0.449
MAR-TRE-799db12b-27
0.447
MAR-TRE-66ac689e-73
0.440
MAR-TRE-66ac689e-37
0.440
MAR-TRE-799db12b-69
0.438
MAR-TRE-9d18ae8c-46
0.437
MAR-TRE-9d18ae8c-18
0.437
MAR-TRE-8190bb11-34
0.437
MAR-TRE-9d18ae8c-54
0.437
MAR-TRE-a9136c7b-11
0.436
MAR-TRE-799db12b-44
0.435
MAR-TRE-92684b97-81
0.435
MAR-TRE-9d18ae8c-53
0.435
MAR-TRE-4f781e27-2
0.432
MAR-TRE-799db12b-16
0.430
MAR-TRE-92684b97-82
0.430
MAR-TRE-9d18ae8c-6
0.430
MAR-TRE-9d18ae8c-65
0.429
MAR-TRE-9d18ae8c-49
0.429
MAR-TRE-66ac689e-1
0.427
MAR-TRE-4f781e27-88
0.425
MAR-TRE-9d18ae8c-43
0.422
MAR-TRE-8190bb11-8
0.422
MAR-TRE-92684b97-11
0.422
MAR-TRE-799db12b-2
0.420
MAR-TRE-799db12b-24
0.420
MAR-TRE-799db12b-33
0.420
MAR-TRE-92684b97-6
0.418
MAR-TRE-8190bb11-80
0.416
MAR-TRE-9d18ae8c-30
0.416
MAR-TRE-9d18ae8c-52
0.416
MAR-TRE-9d18ae8c-7
0.411
MAR-TRE-799db12b-7
0.409
MAR-TRE-799db12b-76
0.409
MAR-TRE-8190bb11-31
0.407
MAR-TRE-9d18ae8c-11
0.407
MAR-TRE-799db12b-97
0.402
MAR-TRE-66ac689e-12
0.400
MAR-TRE-e82e6c98-25
0.400
MAR-TRE-8190bb11-86
0.398
MAR-TRE-799db12b-21
0.392
MAR-TRE-799db12b-9
0.388
MAR-TRE-4f781e27-92
0.386
AAR-POS-0daf6b7e-23
0.386
MAR-TRE-be9ff7d2-17
0.384
MAR-TRE-c317dd82-4
0.382
RAL-MED-2de63afb-5
0.380
MAR-TRE-66ac689e-67
0.378
MAR-TRE-92684b97-78
0.375
MAR-TRE-c317dd82-40
0.375
MAR-TRE-4f781e27-100
0.375
MAR-TRE-e82e6c98-36
0.374
MAR-TRE-e82e6c98-40
0.374
MAR-TRE-92684b97-66
0.373
MAR-TRE-e82e6c98-48
0.372
MAR-TRE-a9136c7b-4
0.366
MAR-TRE-8190bb11-24
0.366
MAR-TRE-8190bb11-85
0.366
MAR-TRE-4f781e27-99
0.365
MAR-TRE-799db12b-35
0.365
MAR-TRE-799db12b-52
0.363
MAR-TRE-9d18ae8c-81
0.363
MAR-TRE-be9ff7d2-81
0.363
MAR-TRE-c317dd82-81
0.363
MAR-TRE-a78003aa-100
0.360
MAR-TRE-8190bb11-50
0.360
WIL-NOV-066c4001-1
0.360
MAR-TRE-e82e6c98-34
0.360
MAR-TRE-a9136c7b-14
0.359
MAR-TRE-4f781e27-75
0.359
MAR-TRE-e82e6c98-10
0.359
MAR-TRE-8190bb11-13
0.357
MAR-TRE-a9136c7b-31
0.357
MAR-TRE-9d18ae8c-84
0.356
MAR-TRE-a9136c7b-38
0.352
MAR-TRE-e82e6c98-61
0.352
MAR-TRE-66ac689e-21
0.352
MAR-TRE-8190bb11-83
0.351
MAR-TRE-a9136c7b-37
0.351
MAR-TRE-9d18ae8c-89
0.349
MAR-TRE-66ac689e-26
0.348
MAR-TRE-e82e6c98-2
0.348
MAR-TRE-799db12b-59
0.344
MAR-TRE-c317dd82-50
0.344
MAR-TRE-8190bb11-99
0.343
PAU-UNI-6d15a9f5-1
0.343
MAR-TRE-66ac689e-20
0.341
MAR-TRE-8190bb11-39
0.340
MAR-TRE-be9ff7d2-51
0.340
MAR-TRE-66ac689e-69
0.340
MAR-TRE-8190bb11-42
0.337