Molecular Properties | |
SMILES: | O=C1CCC(CN2C(=O)N(c3cncc4ccccc34)C(=O)[C@@]23CCOc2ccc(Cl)cc23)CN1 |
MW: | 490.14 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-4
0.838
JOH-MSK-b735e33c-1
0.780
VLA-UNK-f702bf1c-6
0.759
VLA-UCB-34f3ed0c-14
0.759
VLA-UNK-f702bf1c-3
0.661
VLA-UNK-f702bf1c-2
0.652
VLA-UNK-f702bf1c-7
0.643
VLA-UCB-34f3ed0c-15
0.643
VLA-UNK-f702bf1c-8
0.641
VLA-UNK-f702bf1c-1
0.627
BEN-BAS-c2bc0d80-7
0.600
JOH-MSK-949975c8-1
0.583
VLA-UNK-ba665ac8-2
0.557
ADA-UCB-dc2b944c-1
0.540
JOH-MSK-cef8a2bc-1
0.522
VLA-UCB-34f3ed0c-18
0.516
VLA-UNK-83c3754c-2
0.509
VLA-UCB-34f3ed0c-17
0.504
BEN-BAS-c2bc0d80-6
0.500
MAT-POS-94643566-1
0.500
VLA-UCB-05e51b3f-5
0.500
VLA-UCB-50c39ae8-2
0.500
VLA-UCB-29506327-1
0.496
VLA-UNK-cf7facf1-1
0.496
VLA-UCB-34f3ed0c-11
0.496
VLA-UCB-34f3ed0c-16
0.492
VLA-UCB-34f3ed0c-12
0.487
MAT-POS-90505e2b-1
0.479
MAT-POS-ec6d90b7-1
0.479
MAT-POS-ec6d90b7-2
0.479
VLA-UNK-ba665ac8-1
0.475
VLA-UCB-05e51b3f-6
0.475
VLA-UCB-50c39ae8-3
0.475
ALP-POS-477dc5b7-4
0.454
MAT-POS-983b399a-1
0.454
EDJ-MED-159244ea-1
0.454
VLA-UNK-56836b69-3
0.446
DAR-DIA-0f7b7cd9-9
0.442
VLA-UNK-83c3754c-1
0.441
VLA-UNK-70dd90ef-4
0.441
ALP-POS-e0fe77e5-7
0.439
ALP-POS-477dc5b7-5
0.439
MAT-POS-e20a5dfb-1
0.439
MAT-POS-e20a5dfb-2
0.439
VLA-UNK-c65c1026-6
0.438
VLA-UNK-c65c1026-2
0.438
BEN-BAS-c2bc0d80-3
0.434
BRU-THA-73c97d88-1
0.430
DAR-DIA-0f7b7cd9-8
0.426
VLA-UNK-c65c1026-5
0.426
JAG-UCB-f37eaa14-3
0.425
EDJ-MED-f893e2a1-6
0.422
EDJ-MED-159244ea-3
0.421
MAT-POS-983b399a-3
0.421
EDJ-MED-24007d8a-2
0.421
ALP-UNI-0676e700-24
0.417
EDJ-MED-cbbe2dbb-1
0.416
MIC-UNK-7b6fe9e8-1
0.416
DAR-DIA-b80f1cd7-11
0.416
EDJ-MED-159244ea-2
0.413
MAT-POS-983b399a-2
0.413
EDJ-MED-24007d8a-1
0.412
EDJ-MED-dbcb2afb-1
0.412
EDJ-MED-15e90dfc-6
0.412
DAR-DIA-b80f1cd7-13
0.408
EDJ-MED-3af0740c-8
0.407
EDJ-MED-cbbe2dbb-3
0.406
EDJ-MED-6d9ff7d0-7
0.404
DAR-DIA-b80f1cd7-12
0.402
DAR-DIA-b80f1cd7-9
0.402
EDJ-MED-cbbe2dbb-2
0.400
VLA-UNK-3a43cd95-3
0.397
DAR-DIA-b80f1cd7-10
0.394
DAR-DIA-b80f1cd7-14
0.394
EDJ-MED-fcba3f31-9
0.393
EDJ-MED-6d9ff7d0-8
0.393
DAR-DIA-b80f1cd7-8
0.392
VLA-UNK-c65c1026-1
0.392
MAT-POS-e6dd326d-1
0.392
MAT-POS-45b13633-1
0.392
MAT-POS-2bb0cf2b-1
0.392
EDG-MED-971238d3-5
0.392
MIC-UNK-7b6fe9e8-2
0.391
MAT-POS-c2d406ed-2
0.391
VLA-UCB-34f3ed0c-21
0.391
EDJ-MED-7587a9ee-1
0.391
MAT-POS-2e8b2191-8
0.391
EDJ-MED-cbbe2dbb-4
0.390
VLA-UNK-3a43cd95-1
0.389
MAT-POS-e6dd326d-2
0.389
MAT-POS-45b13633-2
0.389
EDJ-MED-a6bd6de0-1
0.387
EDJ-MED-b0f3342b-1
0.387
MAT-POS-ddfe83c6-5
0.386
DAR-DIA-b80f1cd7-7
0.385
DAR-DIA-ecdbc7dd-16
0.383
EDJ-MED-3af0740c-7
0.383
EDJ-MED-4c7486ba-9
0.382
MAT-POS-3b97339c-1
0.382
EDJ-MED-40433386-3
0.382