Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)[C@@]2(CCOc3ccc(Cl)cc32)N1CCc1cc[nH]n1 |
MW: | 473.13 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 91.42 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-2
0.806
VLA-UNK-f702bf1c-8
0.774
VLA-UNK-f702bf1c-7
0.713
VLA-UNK-f702bf1c-3
0.700
BEN-BAS-c2bc0d80-7
0.670
VLA-UCB-34f3ed0c-15
0.667
VLA-UNK-f702bf1c-4
0.658
VLA-UCB-34f3ed0c-14
0.646
VLA-UNK-f702bf1c-6
0.646
VLA-UNK-f702bf1c-5
0.627
VLA-UCB-34f3ed0c-16
0.622
VLA-UNK-ba665ac8-2
0.577
VLA-UNK-83c3754c-2
0.556
VLA-UCB-34f3ed0c-11
0.514
VLA-UNK-cf7facf1-1
0.514
VLA-UCB-29506327-1
0.514
VLA-UNK-56836b69-3
0.513
MAT-POS-ec6d90b7-2
0.509
MAT-POS-90505e2b-1
0.509
MAT-POS-ec6d90b7-1
0.509
ADA-UCB-dc2b944c-1
0.508
VLA-UCB-34f3ed0c-18
0.508
VLA-UCB-34f3ed0c-17
0.496
VLA-UCB-34f3ed0c-12
0.491
VLA-UNK-ba665ac8-1
0.491
MAT-POS-94643566-1
0.491
VLA-UCB-50c39ae8-2
0.491
BEN-BAS-c2bc0d80-6
0.491
VLA-UCB-05e51b3f-5
0.491
JOH-MSK-b735e33c-1
0.484
MAT-POS-983b399a-1
0.482
ALP-POS-477dc5b7-4
0.482
EDJ-MED-159244ea-1
0.482
VLA-UCB-50c39ae8-3
0.479
VLA-UCB-05e51b3f-6
0.479
VLA-UCB-34f3ed0c-10
0.472
DAR-DIA-0f7b7cd9-9
0.457
VLA-UNK-83c3754c-1
0.456
VLA-UNK-70dd90ef-4
0.456
MAT-POS-e20a5dfb-1
0.454
MAT-POS-e20a5dfb-2
0.454
ALP-POS-477dc5b7-5
0.454
ALP-POS-e0fe77e5-7
0.454
BEN-BAS-c2bc0d80-3
0.449
VLA-UCB-34f3ed0c-8
0.445
BRU-THA-73c97d88-1
0.444
VLA-UNK-c65c1026-2
0.441
VLA-UNK-c65c1026-6
0.441
DAR-DIA-0f7b7cd9-8
0.441
VLA-UNK-c65c1026-5
0.441
VLA-UCB-34f3ed0c-3
0.438
MAT-POS-983b399a-3
0.436
EDJ-MED-159244ea-3
0.436
EDG-MED-4c68219f-15
0.430
JAG-UCB-f37eaa14-3
0.427
VLA-UCB-34f3ed0c-4
0.426
EDJ-MED-24007d8a-2
0.423
DAR-DIA-b80f1cd7-13
0.421
DAR-DIA-b80f1cd7-11
0.418
EDJ-MED-159244ea-2
0.415
MAT-POS-983b399a-2
0.415
DAR-DIA-b80f1cd7-9
0.415
EDJ-MED-7587a9ee-1
0.415
MAT-POS-2e8b2191-8
0.415
EDJ-MED-24007d8a-1
0.414
EDJ-MED-dbcb2afb-1
0.414
VLA-UNK-3a43cd95-1
0.413
MAT-POS-ddfe83c6-5
0.409
EDJ-MED-cbbe2dbb-3
0.408
DAR-DIA-b80f1cd7-10
0.407
DAR-DIA-b80f1cd7-14
0.407
EDG-MED-971238d3-5
0.405
MAT-POS-2bb0cf2b-1
0.405
VLA-UNK-c65c1026-1
0.405
MAT-POS-45b13633-1
0.405
MAT-POS-e6dd326d-1
0.405
DAR-DIA-b80f1cd7-12
0.403
EDJ-MED-3af0740c-6
0.403
EDJ-MED-cbbe2dbb-4
0.402
EDJ-MED-cbbe2dbb-2
0.401
EDJ-MED-60df06f3-1
0.401
EDJ-MED-a6bd6de0-1
0.398
EDJ-MED-b0f3342b-1
0.398
VLA-UNK-3a43cd95-3
0.398
EDJ-MED-cbbe2dbb-1
0.397
MIC-UNK-7b6fe9e8-1
0.397
ALP-UNI-0676e700-30
0.393
MAT-POS-c2d406ed-2
0.393
MIC-UNK-7b6fe9e8-2
0.393
VLA-UNK-56836b69-2
0.392
ALP-UNI-76695c4f-10
0.390
KAD-UNI-8a629cb0-31
0.390
EDG-MED-ba1ac7b9-10
0.389
EDG-MED-971238d3-7
0.389
RAL-THA-e002e396-6
0.389
EDJ-MED-3af0740c-8
0.388
EDJ-MED-3af0740c-5
0.388
RAL-THA-58fba2bc-1
0.387
EDG-MED-971238d3-9
0.387
JAG-UCB-706446eb-3
0.387