Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)[C@@]2(CCOc3ccc(Cl)cc32)N1Cc1nc[nH]n1 |
MW: | 460.11 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 104.31 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-8
0.798
VLA-UNK-f702bf1c-2
0.762
VLA-UNK-f702bf1c-1
0.700
VLA-UNK-f702bf1c-7
0.688
VLA-UCB-34f3ed0c-15
0.673
VLA-UNK-f702bf1c-5
0.661
VLA-UNK-f702bf1c-6
0.652
VLA-UCB-34f3ed0c-14
0.652
VLA-UNK-f702bf1c-4
0.649
BEN-BAS-c2bc0d80-7
0.644
VLA-UNK-ba665ac8-2
0.582
VLA-UCB-34f3ed0c-16
0.548
VLA-UCB-34f3ed0c-11
0.532
VLA-UCB-29506327-1
0.532
VLA-UNK-83c3754c-2
0.532
VLA-UNK-cf7facf1-1
0.532
ADA-UCB-dc2b944c-1
0.524
VLA-UCB-34f3ed0c-18
0.524
VLA-UNK-ba665ac8-1
0.522
VLA-UCB-34f3ed0c-17
0.512
MAT-POS-90505e2b-1
0.500
JOH-MSK-b735e33c-1
0.500
MAT-POS-ec6d90b7-1
0.500
MAT-POS-ec6d90b7-2
0.500
VLA-UCB-34f3ed0c-12
0.496
VLA-UCB-50c39ae8-3
0.496
VLA-UCB-05e51b3f-6
0.496
VLA-UCB-05e51b3f-5
0.496
VLA-UCB-50c39ae8-2
0.496
BEN-BAS-c2bc0d80-6
0.496
MAT-POS-94643566-1
0.496
MAT-POS-983b399a-1
0.487
EDJ-MED-159244ea-1
0.487
DAR-DIA-0f7b7cd9-9
0.487
ALP-POS-477dc5b7-4
0.487
VLA-UNK-56836b69-3
0.478
VLA-UNK-83c3754c-1
0.473
VLA-UNK-70dd90ef-4
0.473
MAT-POS-e20a5dfb-1
0.458
MAT-POS-e20a5dfb-2
0.458
ALP-POS-477dc5b7-5
0.458
ALP-POS-e0fe77e5-7
0.458
VLA-UNK-c65c1026-2
0.457
VLA-UNK-c65c1026-5
0.457
DAR-DIA-0f7b7cd9-8
0.457
BEN-BAS-c2bc0d80-3
0.453
EDJ-MED-159244ea-3
0.452
MAT-POS-983b399a-3
0.452
BRU-THA-73c97d88-1
0.448
VLA-UNK-c65c1026-6
0.444
JAG-UCB-f37eaa14-3
0.443
EDJ-MED-24007d8a-2
0.438
DAR-DIA-b80f1cd7-13
0.437
DAR-DIA-b80f1cd7-11
0.433
DAR-DIA-b80f1cd7-9
0.430
EDJ-MED-dbcb2afb-1
0.427
EDJ-MED-a6bd6de0-1
0.423
EDJ-MED-b0f3342b-1
0.423
DAR-DIA-b80f1cd7-10
0.421
DAR-DIA-b80f1cd7-14
0.421
VLA-UNK-c65c1026-1
0.420
EDJ-MED-159244ea-2
0.419
MAT-POS-983b399a-2
0.419
DAR-DIA-b80f1cd7-12
0.418
VLA-UNK-70dd90ef-2
0.417
EDJ-MED-24007d8a-1
0.417
EDJ-MED-cbbe2dbb-4
0.415
EDJ-MED-cbbe2dbb-3
0.411
VLA-UNK-70dd90ef-3
0.410
VLA-UNK-3a43cd95-1
0.405
EDJ-MED-cbbe2dbb-2
0.404
MIC-UNK-7b6fe9e8-1
0.400
YVE-CNR-7d92d73e-1
0.400
DAR-DIA-b80f1cd7-6
0.400
YVE-CNR-132fc2df-1
0.400
DAR-DIA-b80f1cd7-7
0.400
EDJ-MED-cbbe2dbb-1
0.400
DAR-DIA-b80f1cd7-8
0.397
MAT-POS-2bb0cf2b-1
0.397
MAT-POS-e6dd326d-1
0.397
MAT-POS-45b13633-1
0.397
EDG-MED-971238d3-5
0.397
EDJ-MED-7587a9ee-1
0.395
MAT-POS-2e8b2191-8
0.395
VLA-UNK-56836b69-2
0.395
EDJ-MED-3af0740c-4
0.394
DAR-DIA-b80f1cd7-3
0.392
EDJ-MED-3af0740c-8
0.391
MAT-POS-ddfe83c6-5
0.391
EDG-MED-971238d3-10
0.390
VLA-UNK-3a43cd95-3
0.390
MAT-POS-45b13633-4
0.390
RAL-THA-58fba2bc-1
0.390
MAT-POS-a9372f04-1
0.390
MAT-POS-78e1d523-2
0.389
JOH-MSK-949975c8-1
0.388
EDJ-MED-f9b78f78-4
0.387
ALP-POS-4483ae88-1
0.387
EDJ-MED-40e596c8-5
0.386
VLA-UNK-c65c1026-3
0.385