Molecular Properties | |
SMILES: | O=C1CC(CN2C(=O)N(c3cncc4ccccc34)C(=O)[C@@]23CCOc2ccc(Cl)cc23)CN1 |
MW: | 476.13 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-5
0.838
VLA-UCB-34f3ed0c-14
0.764
VLA-UNK-f702bf1c-6
0.764
VLA-UNK-f702bf1c-2
0.670
VLA-UCB-34f3ed0c-15
0.661
VLA-UNK-f702bf1c-7
0.661
VLA-UNK-f702bf1c-1
0.658
VLA-UNK-f702bf1c-3
0.649
JOH-MSK-b735e33c-1
0.647
VLA-UNK-f702bf1c-8
0.643
BEN-BAS-c2bc0d80-7
0.617
VLA-UNK-ba665ac8-2
0.571
ADA-UCB-dc2b944c-1
0.540
VLA-UNK-83c3754c-2
0.523
VLA-UCB-34f3ed0c-18
0.516
BEN-BAS-c2bc0d80-6
0.513
MAT-POS-94643566-1
0.513
VLA-UCB-05e51b3f-5
0.513
VLA-UCB-50c39ae8-2
0.513
VLA-UCB-34f3ed0c-11
0.509
VLA-UCB-29506327-1
0.509
VLA-UNK-cf7facf1-1
0.509
VLA-UCB-34f3ed0c-17
0.504
VLA-UCB-34f3ed0c-16
0.504
VLA-UCB-34f3ed0c-12
0.500
MAT-POS-90505e2b-1
0.491
MAT-POS-ec6d90b7-1
0.491
MAT-POS-ec6d90b7-2
0.491
VLA-UNK-ba665ac8-1
0.487
JOH-MSK-949975c8-1
0.482
VLA-UCB-50c39ae8-3
0.475
VLA-UCB-05e51b3f-6
0.475
EDJ-MED-159244ea-1
0.466
MAT-POS-983b399a-1
0.466
ALP-POS-477dc5b7-4
0.466
VLA-UNK-56836b69-3
0.458
EDJ-MED-f893e2a1-6
0.454
DAR-DIA-0f7b7cd9-9
0.453
VLA-UNK-83c3754c-1
0.452
VLA-UNK-70dd90ef-4
0.452
DAR-DIA-0f7b7cd9-8
0.449
VLA-UNK-c65c1026-6
0.449
BEN-BAS-c2bc0d80-3
0.445
BRU-THA-73c97d88-1
0.441
MAT-POS-e20a5dfb-1
0.438
MAT-POS-e20a5dfb-2
0.438
ALP-POS-e0fe77e5-7
0.438
ALP-POS-477dc5b7-5
0.438
VLA-UNK-c65c1026-5
0.437
VLA-UNK-c65c1026-2
0.437
JAG-UCB-f37eaa14-3
0.436
MAT-POS-983b399a-2
0.436
EDJ-MED-159244ea-2
0.436
EDJ-MED-159244ea-3
0.432
MAT-POS-983b399a-3
0.432
VLA-UCB-34f3ed0c-21
0.432
EDJ-MED-24007d8a-2
0.431
JOH-MSK-cef8a2bc-1
0.428
EDJ-MED-24007d8a-1
0.422
EDJ-MED-dbcb2afb-1
0.421
DAR-DIA-b80f1cd7-13
0.418
EDJ-MED-cbbe2dbb-3
0.415
EDJ-MED-cbbe2dbb-1
0.415
MIC-UNK-7b6fe9e8-1
0.415
DAR-DIA-b80f1cd7-11
0.415
DAR-DIA-b80f1cd7-9
0.411
EDJ-MED-cbbe2dbb-4
0.409
EDJ-MED-cbbe2dbb-2
0.409
VLA-UNK-3a43cd95-3
0.407
EDJ-MED-a6bd6de0-1
0.406
EDJ-MED-b0f3342b-1
0.406
EDJ-MED-3af0740c-8
0.406
ALP-UNI-0676e700-24
0.406
DAR-DIA-b80f1cd7-14
0.403
DAR-DIA-b80f1cd7-10
0.403
EDJ-MED-6d9ff7d0-7
0.403
VLA-UNK-c65c1026-1
0.402
DAR-DIA-b80f1cd7-12
0.400
EDJ-MED-7587a9ee-1
0.400
MAT-POS-2e8b2191-8
0.400
VLA-UNK-3a43cd95-1
0.398
MAT-POS-ddfe83c6-5
0.395
DAR-DIA-b80f1cd7-7
0.394
DAR-DIA-b80f1cd7-6
0.394
DAR-DIA-b80f1cd7-8
0.391
MAT-POS-2bb0cf2b-1
0.390
MAT-POS-45b13633-1
0.390
MAT-POS-e6dd326d-1
0.390
EDG-MED-971238d3-5
0.390
MIC-UNK-7b6fe9e8-2
0.390
EDJ-MED-15e90dfc-6
0.390
MAT-POS-c2d406ed-2
0.390
EDJ-MED-3af0740c-4
0.389
VLA-UNK-56836b69-2
0.388
MAT-POS-e6dd326d-2
0.387
MAT-POS-45b13633-2
0.387
VLA-UNK-70dd90ef-2
0.387
JOH-MSK-51c67e7d-1
0.382
JOH-MSK-51c67e7d-2
0.382
EDJ-MED-3af0740c-7
0.381