Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)[C@@]2(CCOc3ccc(Cl)cc32)N1CCc1nc[nH]n1 |
MW: | 474.12 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 104.31 |
cLogP: | 3.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-3
0.798
VLA-UNK-f702bf1c-1
0.774
VLA-UNK-f702bf1c-7
0.713
VLA-UNK-f702bf1c-2
0.691
VLA-UCB-34f3ed0c-15
0.667
BEN-BAS-c2bc0d80-7
0.654
VLA-UNK-f702bf1c-6
0.646
VLA-UCB-34f3ed0c-14
0.646
VLA-UNK-f702bf1c-4
0.643
VLA-UNK-f702bf1c-5
0.641
VLA-UNK-ba665ac8-2
0.577
VLA-UNK-83c3754c-2
0.541
VLA-UCB-34f3ed0c-16
0.532
VLA-UCB-29506327-1
0.514
VLA-UNK-cf7facf1-1
0.514
VLA-UCB-34f3ed0c-11
0.514
MAT-POS-90505e2b-1
0.509
MAT-POS-ec6d90b7-1
0.509
MAT-POS-ec6d90b7-2
0.509
ADA-UCB-dc2b944c-1
0.508
VLA-UCB-34f3ed0c-18
0.508
VLA-UCB-34f3ed0c-17
0.496
VLA-UNK-ba665ac8-1
0.491
VLA-UCB-34f3ed0c-12
0.491
VLA-UCB-50c39ae8-2
0.491
VLA-UCB-05e51b3f-5
0.491
BEN-BAS-c2bc0d80-6
0.491
MAT-POS-94643566-1
0.491
VLA-UNK-56836b69-3
0.487
JOH-MSK-b735e33c-1
0.484
ALP-POS-477dc5b7-4
0.482
EDJ-MED-159244ea-1
0.482
MAT-POS-983b399a-1
0.482
DAR-DIA-0f7b7cd9-9
0.482
VLA-UCB-05e51b3f-6
0.479
VLA-UCB-50c39ae8-3
0.479
VLA-UNK-83c3754c-1
0.469
VLA-UNK-70dd90ef-4
0.469
ALP-POS-477dc5b7-5
0.454
MAT-POS-e20a5dfb-1
0.454
MAT-POS-e20a5dfb-2
0.454
ALP-POS-e0fe77e5-7
0.454
BEN-BAS-c2bc0d80-3
0.449
EDJ-MED-159244ea-3
0.448
MAT-POS-983b399a-3
0.448
BRU-THA-73c97d88-1
0.444
DAR-DIA-0f7b7cd9-8
0.441
VLA-UNK-c65c1026-6
0.441
VLA-UNK-c65c1026-2
0.441
VLA-UNK-c65c1026-5
0.441
JAG-UCB-f37eaa14-3
0.440
EDJ-MED-24007d8a-2
0.423
DAR-DIA-b80f1cd7-13
0.421
EDJ-MED-cbbe2dbb-3
0.419
DAR-DIA-b80f1cd7-11
0.418
VLA-UNK-c65c1026-1
0.417
EDJ-MED-159244ea-2
0.415
MAT-POS-983b399a-2
0.415
DAR-DIA-b80f1cd7-9
0.415
EDJ-MED-24007d8a-1
0.414
EDJ-MED-dbcb2afb-1
0.414
EDJ-MED-a6bd6de0-1
0.409
EDJ-MED-b0f3342b-1
0.409
DAR-DIA-b80f1cd7-10
0.407
DAR-DIA-b80f1cd7-14
0.407
EDJ-MED-7587a9ee-1
0.403
DAR-DIA-b80f1cd7-12
0.403
MAT-POS-2e8b2191-8
0.403
VLA-UNK-70dd90ef-2
0.402
VLA-UNK-3a43cd95-1
0.402
EDJ-MED-cbbe2dbb-4
0.402
MAT-POS-ddfe83c6-5
0.398
EDJ-MED-cbbe2dbb-1
0.397
MIC-UNK-7b6fe9e8-1
0.397
VLA-UNK-70dd90ef-3
0.395
MAT-POS-e6dd326d-1
0.393
MAT-POS-45b13633-1
0.393
EDG-MED-971238d3-5
0.393
MAT-POS-2bb0cf2b-1
0.393
EDJ-MED-3af0740c-6
0.393
VLA-UNK-56836b69-2
0.392
EDJ-MED-cbbe2dbb-2
0.391
EDJ-MED-3af0740c-8
0.388
EDJ-MED-3af0740c-5
0.388
VLA-UNK-3a43cd95-3
0.387
MAT-POS-45b13633-4
0.387
EDG-MED-971238d3-9
0.387
JAG-UCB-706446eb-3
0.387
RAL-THA-58fba2bc-1
0.387
EDG-MED-971238d3-10
0.387
DAR-DIA-b80f1cd7-7
0.386
DAR-DIA-b80f1cd7-6
0.386
YVE-CNR-132fc2df-1
0.385
EDJ-MED-40433386-10
0.385
ALP-POS-4483ae88-1
0.384
EDJ-MED-f9b78f78-4
0.384
MIK-ENA-fc9ceda2-1
0.383
DAR-DIA-b80f1cd7-8
0.383
MIC-UNK-7b6fe9e8-2
0.382
MAT-POS-c2d406ed-2
0.382