Molecular Properties | |
SMILES: | O=C1N[C@]2(CCOc3cc(Cl)c(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 413.03 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 71.53 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-3a43cd95-1
0.786
VLA-UNK-cf7facf1-1
0.709
VLA-UCB-34f3ed0c-11
0.709
VLA-UCB-29506327-1
0.709
VLA-UNK-3a43cd95-2
0.591
VLA-UNK-56836b69-3
0.579
VLA-UNK-56836b69-5
0.570
VLA-UNK-83c3754c-1
0.559
VLA-UNK-70dd90ef-4
0.559
ALP-POS-e0fe77e5-4
0.531
VLA-UNK-ba665ac8-1
0.505
JOH-MSK-b735e33c-1
0.496
VLA-UNK-3a43cd95-3
0.495
VLA-UNK-70dd90ef-1
0.495
VLA-MRT-a639d434-3
0.485
VLA-MRT-8c78ee15-2
0.485
VLA-MRT-8c78ee15-1
0.485
VLA-UCB-34f3ed0c-12
0.476
JOH-MSK-ccc6e4c0-1
0.469
VLA-MRT-8c78ee15-3
0.467
MAT-POS-ddfe83c6-4
0.467
VLA-MRT-a639d434-1
0.467
MAT-POS-90505e2b-1
0.465
MAT-POS-ec6d90b7-1
0.465
MAT-POS-ec6d90b7-2
0.465
VLA-UCB-05e51b3f-6
0.462
VLA-UCB-50c39ae8-3
0.462
VLA-UNK-70dd90ef-2
0.459
VLA-MRT-a639d434-2
0.453
VLA-MRT-8c78ee15-4
0.453
JOH-MSK-4bb3d434-3
0.450
BEN-BAS-c2bc0d80-6
0.447
MAT-POS-94643566-1
0.447
VLA-UNK-c65c1026-5
0.447
VLA-UCB-50c39ae8-2
0.447
VLA-UCB-05e51b3f-5
0.447
VLA-UNK-ba665ac8-2
0.439
BEN-BAS-c2bc0d80-7
0.438
MAT-POS-1f3f1a6f-5
0.436
VLA-UNK-c65c1026-6
0.433
VLA-UNK-3a43cd95-4
0.433
MAT-POS-78e1d523-3
0.427
EDJ-MED-d08626de-3
0.427
MAT-POS-78e1d523-4
0.427
EDJ-MED-d08626de-4
0.427
EDJ-MED-d08626de-5
0.427
EDJ-MED-37aac4bd-1
0.427
EDJ-MED-159244ea-1
0.423
MAT-POS-983b399a-1
0.423
ALP-POS-477dc5b7-4
0.423
MAT-POS-c2d406ed-1
0.422
MIK-ENA-f156d06e-1
0.422
MAT-POS-932d1078-4
0.421
MAT-POS-932d1078-5
0.421
EDJ-MED-37aac4bd-2
0.421
VLA-UCB-34f3ed0c-18
0.420
JAG-UCB-f37eaa14-1
0.419
VLA-UNK-c65c1026-2
0.419
BEN-BAS-c2bc0d80-3
0.415
VLA-UNK-f702bf1c-7
0.414
VLA-UCB-34f3ed0c-15
0.414
VLA-UNK-83c3754c-2
0.413
VLA-UNK-c65c1026-4
0.408
PET-UNK-4dc48bbe-8
0.400
EDJ-MED-159244ea-3
0.400
MAT-POS-983b399a-3
0.400
VLA-UCB-34f3ed0c-14
0.398
VLA-UNK-f702bf1c-2
0.398
VLA-UNK-f702bf1c-6
0.398
PET-UNK-4dc48bbe-6
0.398
VLA-UCB-1dbca3b4-17
0.398
ALP-POS-e0fe77e5-10
0.396
YVE-CNR-7d92d73e-1
0.396
BRU-THA-73c97d88-1
0.396
DAR-DIA-0f7b7cd9-9
0.396
VLA-UNK-f702bf1c-3
0.395
MAT-POS-e20a5dfb-1
0.394
MAT-POS-e20a5dfb-2
0.394
DAR-DIA-b80f1cd7-14
0.394
ALP-POS-e0fe77e5-7
0.394
ALP-POS-477dc5b7-5
0.394
VLA-UNK-56836b69-6
0.394
ALP-POS-afe0272e-2
0.393
VLA-UNK-c65c1026-3
0.393
DAR-DIA-0f7b7cd9-8
0.393
VLA-UNK-f702bf1c-1
0.392
VLA-UNK-f702bf1c-8
0.392
JAG-UCB-f37eaa14-3
0.390
PET-UNK-689df078-3
0.390
ALP-POS-afe0272e-1
0.389
VLA-UNK-f702bf1c-4
0.388
DAR-DIA-b80f1cd7-13
0.385
ADA-UCB-dc2b944c-1
0.385
VLA-UNK-db5e3064-2
0.384
EDJ-MED-94fddcec-4
0.383
ALP-POS-41e2080f-1
0.383
EDJ-MED-d4864bdc-3
0.383
DAR-DIA-b80f1cd7-11
0.382
VLA-UCB-1dbca3b4-3
0.381
VLA-UNK-70dd90ef-3
0.381