Molecular Properties | |
SMILES: | O=C1N[C@]2(COc3cc(F)c(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 383.05 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-3a43cd95-1
0.747
VLA-UNK-83c3754c-1
0.709
VLA-UNK-70dd90ef-4
0.709
VLA-UNK-56836b69-2
0.591
VLA-UNK-3a43cd95-4
0.589
VLA-UCB-29506327-1
0.568
VLA-UNK-cf7facf1-1
0.568
VLA-UCB-34f3ed0c-11
0.568
JAG-UCB-f37eaa14-1
0.557
VLA-UNK-3a43cd95-3
0.545
VLA-UNK-56836b69-5
0.526
MAT-POS-61f37a1a-14
0.520
VLA-UNK-70dd90ef-1
0.515
VLA-UNK-c65c1026-5
0.510
VLA-MRT-8c78ee15-1
0.505
VLA-MRT-8c78ee15-2
0.505
VLA-MRT-a639d434-3
0.505
VLA-MRT-8c78ee15-4
0.486
VLA-MRT-a639d434-2
0.486
VLA-UNK-c65c1026-6
0.480
VLA-MRT-8c78ee15-3
0.472
VLA-MRT-a639d434-1
0.472
MAT-POS-ddfe83c6-4
0.472
VLA-UNK-70dd90ef-2
0.465
VLA-UNK-83c3754c-2
0.461
JOH-MSK-4bb3d434-3
0.455
VLA-UNK-ba665ac8-1
0.453
VLA-UNK-c65c1026-2
0.452
MAT-POS-ec6d90b7-2
0.442
MAT-POS-90505e2b-1
0.442
MAT-POS-ec6d90b7-1
0.442
MAT-POS-c2d406ed-1
0.440
MIK-ENA-f156d06e-1
0.440
VLA-UCB-34f3ed0c-12
0.439
JAG-UCB-f37eaa14-3
0.437
JOH-MSK-ccc6e4c0-1
0.436
VLA-UNK-a5257d84-1
0.429
EDJ-MED-d4864bdc-3
0.429
ALP-POS-41e2080f-1
0.429
YVE-CNR-7d92d73e-1
0.429
EDJ-MED-94fddcec-4
0.429
VLA-UNK-c65c1026-4
0.427
VLA-UCB-50c39ae8-3
0.426
VLA-UCB-05e51b3f-6
0.426
VLA-UNK-56836b69-3
0.421
VLA-UNK-5d8210f0-2
0.417
VLA-UNK-70dd90ef-3
0.413
MAT-POS-1f3f1a6f-5
0.412
VLA-UCB-05e51b3f-5
0.411
VLA-UCB-50c39ae8-2
0.411
BEN-BAS-c2bc0d80-6
0.411
VLA-UNK-c65c1026-1
0.411
MAT-POS-94643566-1
0.411
VLA-UNK-c65c1026-3
0.411
VLA-UNK-f702bf1c-7
0.407
PET-UNK-4dc48bbe-8
0.406
BEN-BAS-c2bc0d80-7
0.404
EDJ-MED-159244ea-1
0.402
MAT-POS-983b399a-1
0.402
ALP-POS-477dc5b7-4
0.402
VLA-UNK-f2612802-2
0.402
VLA-UCB-34f3ed0c-15
0.395
ALP-POS-e0fe77e5-4
0.394
PET-UNK-eeb64427-3
0.393
PET-UNK-eeb64427-6
0.393
VLA-UNK-8e615992-2
0.393
VLA-UNK-61877630-5
0.393
VLA-UNK-ba665ac8-2
0.393
DAR-DIA-6be260fc-1
0.393
JAG-UCB-f37eaa14-2
0.393
ALP-POS-fe871b40-11
0.391
MAT-POS-993cdc78-1
0.391
MAT-POS-993cdc78-2
0.391
MAT-POS-a9372f04-1
0.390
VLA-UCB-34f3ed0c-18
0.390
PET-UNK-4dc48bbe-6
0.390
VLA-UCB-1dbca3b4-17
0.390
JOH-MSK-1f2dff76-3
0.389
JOH-MSK-1f2dff76-4
0.389
BEN-DND-d1eb1f41-15
0.388
EDJ-MED-f9b78f78-4
0.387
ALP-POS-4483ae88-1
0.387
PET-UNK-eeb64427-2
0.385
PET-UNK-eeb64427-5
0.385
PET-UNK-689df078-3
0.382
VLA-UCB-34f3ed0c-14
0.380
VLA-UNK-f702bf1c-2
0.380
VLA-UNK-f702bf1c-6
0.380
VLA-UCB-1dbca3b4-6
0.376
YVE-CNR-132fc2df-1
0.376
JOH-MSK-51c67e7d-1
0.376
JOH-MSK-51c67e7d-2
0.376
DAR-DIA-0f7b7cd9-9
0.376
ALP-POS-477dc5b7-5
0.375
MAT-POS-e20a5dfb-1
0.375
ALP-POS-e0fe77e5-7
0.375
MAT-POS-e20a5dfb-2
0.375
VLA-UNK-61877630-8
0.374
VLA-UNK-f702bf1c-1
0.374
VLA-UNK-f702bf1c-8
0.374