Molecular Properties | |
SMILES: | O=C1CCC(CN2C(=O)N(c3cncc4ccccc34)C(=O)[C@@]23CCOc2cc(Cl)c(Cl)cc23)CN1 |
MW: | 524.1 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-5
0.780
VLA-UNK-f702bf1c-4
0.647
VLA-UNK-56836b69-3
0.602
VLA-UCB-34f3ed0c-14
0.580
VLA-UNK-f702bf1c-6
0.580
JOH-MSK-cef8a2bc-1
0.576
JOH-MSK-949975c8-1
0.533
VLA-UNK-f702bf1c-3
0.500
VLA-UNK-56836b69-2
0.496
VLA-UNK-f702bf1c-2
0.492
VLA-UNK-f702bf1c-8
0.484
VLA-UNK-f702bf1c-1
0.484
VLA-UNK-f702bf1c-7
0.484
VLA-UCB-34f3ed0c-15
0.484
BEN-BAS-c2bc0d80-7
0.450
ALP-POS-e0fe77e5-4
0.442
VLA-UNK-3a43cd95-3
0.426
VLA-UNK-3a43cd95-1
0.418
VLA-UNK-ba665ac8-2
0.416
VLA-UCB-34f3ed0c-18
0.412
ADA-UCB-dc2b944c-1
0.412
DAR-DIA-b80f1cd7-11
0.400
MAT-POS-1f3f1a6f-5
0.398
VLA-UNK-83c3754c-2
0.393
DAR-DIA-b80f1cd7-13
0.392
VLA-UCB-50c39ae8-2
0.387
VLA-UCB-05e51b3f-5
0.387
BEN-BAS-c2bc0d80-6
0.387
MAT-POS-94643566-1
0.387
DAR-DIA-b80f1cd7-12
0.386
VLA-UCB-29506327-1
0.382
VLA-UNK-cf7facf1-1
0.382
VLA-UCB-34f3ed0c-11
0.382
VLA-UCB-34f3ed0c-17
0.381
VLA-UCB-34f3ed0c-12
0.378
DAR-DIA-b80f1cd7-14
0.378
DAR-DIA-b80f1cd7-8
0.377
DAR-DIA-b80f1cd7-9
0.375
VLA-UNK-56836b69-5
0.374
VLA-UCB-34f3ed0c-16
0.373
EDJ-MED-cbbe2dbb-1
0.371
MIC-UNK-7b6fe9e8-1
0.371
VLA-UNK-3a43cd95-2
0.368
MAT-POS-90505e2b-1
0.368
MAT-POS-ec6d90b7-1
0.368
MAT-POS-ec6d90b7-2
0.368
VLA-UCB-05e51b3f-6
0.367
VLA-UCB-50c39ae8-3
0.367
VLA-UNK-ba665ac8-1
0.367
DAR-DIA-b80f1cd7-10
0.367
EDJ-MED-24007d8a-1
0.366
VLA-UNK-3a43cd95-4
0.365
EDJ-MED-24007d8a-2
0.365
EDJ-MED-3af0740c-8
0.364
EDJ-MED-cbbe2dbb-3
0.360
DAR-DIA-b80f1cd7-7
0.359
EDJ-MED-dbcb2afb-1
0.357
EDJ-MED-cbbe2dbb-2
0.357
EDJ-MED-37aac4bd-2
0.357
MAT-POS-932d1078-4
0.357
MAT-POS-932d1078-5
0.357
JAG-UCB-f37eaa14-1
0.354
MAT-POS-2e8b2191-8
0.354
EDJ-MED-7587a9ee-1
0.354
DAR-DIA-b80f1cd7-6
0.348
MIC-UNK-7b6fe9e8-2
0.348
MAT-POS-c2d406ed-2
0.348
ALP-POS-477dc5b7-4
0.346
ALP-POS-e0fe77e5-10
0.346
EDJ-MED-159244ea-1
0.346
MAT-POS-983b399a-1
0.346
EDJ-MED-cbbe2dbb-4
0.345
PET-UNK-4dc48bbe-8
0.345
VLA-UCB-1dbca3b4-6
0.345
VLA-UCB-1dbca3b4-17
0.345
PET-UNK-4dc48bbe-6
0.345
VLA-UNK-83c3754c-1
0.344
VLA-UNK-70dd90ef-4
0.344
VLA-UNK-c65c1026-6
0.344
VLA-UNK-c65c1026-2
0.344
VLA-UNK-c65c1026-3
0.344
EDJ-MED-a6bd6de0-1
0.343
EDJ-MED-b0f3342b-1
0.343
DAR-DIA-b80f1cd7-3
0.341
MAT-POS-ddfe83c6-5
0.341
JOH-MSK-ccc6e4c0-1
0.340
EDJ-MED-3af0740c-7
0.340
EDJ-MED-3af0740c-4
0.340
ALP-POS-e0fe77e5-5
0.338
DAR-DIA-b80f1cd7-5
0.338
EDJ-MED-3af0740c-6
0.338
MIC-UNK-0a05c952-4
0.336
DAR-DIA-0f7b7cd9-9
0.336
ALP-POS-477dc5b7-5
0.336
MAT-POS-e20a5dfb-1
0.336
MAT-POS-e20a5dfb-2
0.336
ALP-POS-e0fe77e5-7
0.336
VLA-UCB-1dbca3b4-18
0.333
PET-UNK-abc197b8-1
0.333
VLA-UNK-70dd90ef-1
0.333