Molecular Properties | |
SMILES: | O=C(NCc1cccc(N2CCCCC2=O)c1)c1cncnc1 |
MW: | 310.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.19 |
cLogP: | 1.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-69
0.881
MAR-TRE-66ac689e-54
0.649
MAR-TRE-799db12b-14
0.494
MAR-TRE-9d18ae8c-34
0.477
MAR-TRE-66ac689e-21
0.476
MAR-TRE-9d18ae8c-16
0.466
MAR-TRE-799db12b-16
0.458
MAR-TRE-9d18ae8c-6
0.458
MAR-TRE-799db12b-4
0.456
MAR-TRE-799db12b-49
0.455
MAR-TRE-66ac689e-73
0.451
MAR-TRE-66ac689e-37
0.451
MAR-TRE-8190bb11-34
0.447
MAR-TRE-9d18ae8c-54
0.447
MAR-TRE-9d18ae8c-46
0.447
MAR-TRE-4f781e27-92
0.446
MAR-TRE-92684b97-81
0.446
MAR-TRE-9d18ae8c-53
0.446
MAR-TRE-799db12b-44
0.446
MAR-TRE-66ac689e-33
0.442
MAR-TRE-9d18ae8c-30
0.442
MAR-TRE-9d18ae8c-36
0.442
MAR-TRE-8190bb11-80
0.442
MAR-TRE-799db12b-9
0.441
MAR-TRE-799db12b-27
0.440
MAR-TRE-92684b97-82
0.440
MAR-TRE-66ac689e-1
0.437
MAK-UNK-c8c8f7e2-20
0.434
MAR-TRE-799db12b-76
0.433
MAR-TRE-92684b97-11
0.432
MAR-TRE-799db12b-51
0.432
MAR-TRE-8190bb11-8
0.432
MAR-TRE-799db12b-2
0.430
MAR-TRE-799db12b-3
0.430
MAR-TRE-799db12b-24
0.430
MAR-TRE-799db12b-33
0.430
MAR-TRE-9d18ae8c-18
0.430
MAR-TRE-a9136c7b-11
0.430
MAR-TRE-799db12b-18
0.429
MAR-TRE-66ac689e-20
0.429
MAR-TRE-66ac689e-12
0.427
MAR-TRE-9d18ae8c-52
0.425
MAR-TRE-4f781e27-2
0.425
MAR-TRE-8190bb11-86
0.424
MAR-TRE-9d18ae8c-49
0.422
MAR-TRE-66ac689e-26
0.422
MAR-TRE-9d18ae8c-7
0.420
MAR-TRE-4f781e27-88
0.419
MAR-TRE-66ac689e-29
0.419
MAR-TRE-8190bb11-31
0.416
MAR-TRE-9d18ae8c-11
0.416
MAR-TRE-9d18ae8c-43
0.416
MAR-TRE-799db12b-97
0.411
MAR-TRE-92684b97-6
0.411
MAR-TRE-8190bb11-85
0.410
MAR-TRE-a9136c7b-57
0.409
MAR-TRE-799db12b-72
0.409
MAR-TRE-a9136c7b-31
0.409
MAR-TRE-9d18ae8c-10
0.407
MAR-TRE-92684b97-78
0.403
MAR-TRE-799db12b-52
0.402
MAR-TRE-2fd8122f-39
0.400
MAR-TRE-e82e6c98-25
0.394
MAR-TRE-66ac689e-47
0.393
MAR-TRE-be9ff7d2-17
0.393
MAR-TRE-8190bb11-24
0.392
MAR-TRE-4f781e27-99
0.390
MAR-TRE-9d18ae8c-89
0.390
MAR-TRE-a9136c7b-4
0.388
MAR-TRE-4f781e27-65
0.386
MAR-TRE-8190bb11-13
0.383
MAR-TRE-a9136c7b-14
0.380
MAR-TRE-8190bb11-99
0.379
MAR-TRE-799db12b-35
0.373
MAR-TRE-9d18ae8c-58
0.372
MAR-TRE-799db12b-11
0.370
MAR-TRE-8190bb11-50
0.369
MAR-TRE-4f781e27-48
0.363
MAR-TRE-be9ff7d2-67
0.359
MAR-TRE-e82e6c98-12
0.356
MAR-TRE-a9136c7b-76
0.355
MAR-TRE-c317dd82-14
0.352
MAR-TRE-799db12b-48
0.352
MAR-TRE-799db12b-65
0.351
MAR-TRE-799db12b-98
0.351
MAR-TRE-799db12b-1
0.351
MAK-UNK-6435e6c2-4
0.350
MAR-TRE-c317dd82-55
0.349
MAR-TRE-9d18ae8c-84
0.348
MAR-TRE-8190bb11-42
0.345
MAK-UNK-7a704a63-10
0.345
AAR-POS-0daf6b7e-11
0.345
MAR-TRE-92684b97-74
0.345
LON-WEI-8f408cad-1
0.345
MAR-TRE-e82e6c98-93
0.344
MAR-TRE-799db12b-89
0.344
MAR-TRE-92684b97-53
0.344
BAR-COM-0f94fc3d-53
0.343
MAR-TRE-8190bb11-81
0.341
MAR-TRE-9d18ae8c-74
0.341