Molecular Properties | |
SMILES: | O=C1N[C@]2(CCOc3cc(F)c(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 397.06 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-56836b69-2
0.786
VLA-UNK-3a43cd95-2
0.747
VLA-UNK-cf7facf1-1
0.716
VLA-UCB-34f3ed0c-11
0.716
VLA-UCB-29506327-1
0.716
VLA-UNK-3a43cd95-3
0.615
VLA-UNK-83c3754c-1
0.568
VLA-UNK-70dd90ef-4
0.568
VLA-UNK-3a43cd95-4
0.545
JAG-UCB-f37eaa14-1
0.530
VLA-UNK-56836b69-5
0.515
VLA-UNK-ba665ac8-1
0.515
VLA-UNK-70dd90ef-1
0.505
VLA-MRT-8c78ee15-1
0.495
VLA-MRT-8c78ee15-2
0.495
VLA-MRT-a639d434-3
0.495
VLA-UCB-34f3ed0c-12
0.486
VLA-UNK-56836b69-3
0.481
MAT-POS-90505e2b-1
0.476
MAT-POS-ec6d90b7-1
0.476
MAT-POS-ec6d90b7-2
0.476
VLA-UCB-50c39ae8-3
0.472
VLA-UCB-05e51b3f-6
0.472
VLA-UNK-70dd90ef-2
0.470
VLA-MRT-8c78ee15-3
0.464
VLA-MRT-a639d434-1
0.464
MAT-POS-ddfe83c6-4
0.464
VLA-MRT-8c78ee15-4
0.463
VLA-MRT-a639d434-2
0.463
MAT-POS-993cdc78-1
0.462
ALP-POS-fe871b40-11
0.462
MAT-POS-993cdc78-2
0.462
JOH-MSK-4bb3d434-3
0.459
VLA-UCB-05e51b3f-5
0.457
MAT-POS-94643566-1
0.457
BEN-BAS-c2bc0d80-6
0.457
VLA-UCB-50c39ae8-2
0.457
VLA-UNK-c65c1026-5
0.457
ALP-POS-e0fe77e5-4
0.453
VLA-UNK-ba665ac8-2
0.450
BEN-BAS-c2bc0d80-7
0.449
VLA-UNK-f702bf1c-7
0.448
ALP-POS-477dc5b7-4
0.448
MAT-POS-983b399a-1
0.448
EDJ-MED-159244ea-1
0.448
MAT-POS-c2d406ed-1
0.444
MIK-ENA-f156d06e-1
0.444
VLA-UNK-c65c1026-6
0.443
VLA-UCB-34f3ed0c-18
0.442
JOH-MSK-ccc6e4c0-1
0.441
VLA-UCB-34f3ed0c-15
0.436
VLA-UNK-c65c1026-2
0.430
BEN-BAS-c2bc0d80-3
0.426
VLA-UNK-83c3754c-2
0.425
EDJ-MED-d4864bdc-3
0.421
ALP-POS-41e2080f-1
0.421
EDJ-MED-94fddcec-4
0.421
YVE-CNR-7d92d73e-1
0.421
VLA-UNK-f702bf1c-2
0.420
VLA-UNK-c65c1026-4
0.419
VLA-UNK-f2612802-2
0.419
MAT-POS-e20a5dfb-1
0.418
MAT-POS-e20a5dfb-2
0.418
ALP-POS-477dc5b7-5
0.418
ALP-POS-e0fe77e5-7
0.418
JOH-MSK-b735e33c-1
0.418
JAG-UCB-f37eaa14-3
0.415
VLA-UNK-f702bf1c-1
0.413
MAT-POS-983b399a-3
0.411
MAT-POS-61f37a1a-14
0.411
EDJ-MED-159244ea-3
0.411
VLA-UNK-61877630-5
0.410
VLA-UNK-8e615992-2
0.410
VLA-UNK-5d8210f0-2
0.410
VLA-UNK-f702bf1c-6
0.408
VLA-UCB-34f3ed0c-14
0.408
VLA-UNK-a5257d84-1
0.407
DAR-DIA-0f7b7cd9-9
0.407
BRU-THA-73c97d88-1
0.407
VLA-UNK-70dd90ef-3
0.406
EDJ-MED-f9b78f78-4
0.405
ALP-POS-4483ae88-1
0.405
VLA-UNK-f702bf1c-3
0.405
MAT-POS-1f3f1a6f-5
0.404
DAR-DIA-0f7b7cd9-8
0.404
VLA-UNK-c65c1026-3
0.404
VLA-UNK-f702bf1c-8
0.402
VLA-UNK-f702bf1c-4
0.398
PET-UNK-4dc48bbe-8
0.398
VLA-UCB-34f3ed0c-16
0.397
MAT-POS-a9372f04-1
0.396
ADA-UCB-dc2b944c-1
0.395
JOH-MSK-1f2dff76-3
0.394
JOH-MSK-1f2dff76-4
0.394
MAT-POS-45b13633-1
0.391
VLA-UNK-c65c1026-1
0.391
MAT-POS-2bb0cf2b-1
0.391
MAT-POS-e6dd326d-1
0.391
EDG-MED-971238d3-5
0.391
MAT-POS-983b399a-2
0.389