Molecular Properties | |
SMILES: | O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)N1c1cncc2ccccc12 |
MW: | 337.06 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
MAT-POS-1f3f1a6f-5
0.718
VLA-UCB-1dbca3b4-17
0.699
PET-UNK-4dc48bbe-6
0.699
ALP-POS-ce760d3f-8
0.494
VLA-UCB-1dbca3b4-18
0.488
PET-UNK-abc197b8-1
0.488
PET-UNK-689df078-3
0.482
VLA-UNK-db5e3064-2
0.476
VLA-UCB-1dbca3b4-6
0.476
VLA-UCB-1dbca3b4-10
0.455
PET-UNK-689df078-1
0.455
VLA-UNK-db5e3064-1
0.449
PET-UNK-689df078-2
0.449
PET-UNK-4dc48bbe-9
0.447
VLA-UNK-70dd90ef-2
0.444
PET-UNK-689df078-4
0.443
JOH-MSK-1f2dff76-3
0.436
YVE-CNR-7d92d73e-1
0.436
JOH-MSK-1f2dff76-4
0.436
VLA-UNK-c65c1026-4
0.435
VLA-UNK-70dd90ef-1
0.435
VLA-UNK-83c3754c-1
0.435
VLA-UNK-70dd90ef-4
0.435
PET-UNK-7a31b064-1
0.429
VLA-MRT-8c78ee15-2
0.426
VLA-MRT-8c78ee15-1
0.426
VLA-UCB-29506327-1
0.426
VLA-UNK-cf7facf1-1
0.426
VLA-UCB-34f3ed0c-11
0.426
VLA-MRT-a639d434-3
0.426
PET-UNK-7b413b46-6
0.425
PET-UNK-7b413b46-2
0.425
VLA-UCB-1dbca3b4-3
0.424
BEN-DND-d1eb1f41-15
0.422
PET-UNK-7b413b46-1
0.422
PET-UNK-7b413b46-5
0.422
MAT-POS-ec6d90b7-1
0.421
MAT-POS-ec6d90b7-2
0.421
MAT-POS-90505e2b-1
0.421
VLA-UCB-1dbca3b4-13
0.420
VLA-UNK-70dd90ef-3
0.419
VLA-UNK-c65c1026-6
0.417
MIC-UNK-eb20c3e1-2
0.415
PET-UNK-7a31b064-2
0.415
JOH-MSK-51c67e7d-2
0.406
JOH-MSK-51c67e7d-1
0.406
VLA-UNK-3a43cd95-2
0.406
PET-UNK-c9c1e0d8-4
0.404
ALP-UNI-3735e77e-1
0.404
EDG-MED-5d232de5-8
0.404
ALP-POS-e0fe77e5-1
0.404
EDG-MED-5d232de5-7
0.404
GIA-UNK-80c9bc96-1
0.404
DAR-DIA-b80f1cd7-14
0.404
VLA-UCB-34f3ed0c-12
0.404
VLA-UNK-c65c1026-3
0.402
VLA-UNK-c65c1026-5
0.402
VLA-UCB-1dbca3b4-12
0.400
VLA-UNK-56836b69-2
0.400
VLA-UNK-56836b69-5
0.400
PET-UNK-4c71d490-1
0.398
PET-UNK-4c71d490-5
0.398
VLA-UNK-3a43cd95-1
0.398
VLA-MRT-8c78ee15-4
0.396
VLA-MRT-a639d434-2
0.396
VLA-UNK-83c3754c-2
0.396
DAR-DIA-b80f1cd7-1
0.396
PET-UNK-c9c1e0d8-3
0.396
PET-UNK-7b413b46-3
0.394
PET-UNK-7b413b46-7
0.394
EDJ-MED-94fddcec-4
0.392
ALP-POS-41e2080f-1
0.392
EDJ-MED-d4864bdc-3
0.392
YVE-CNR-132fc2df-1
0.392
MIC-UNK-eb20c3e1-1
0.390
DAR-DIA-b80f1cd7-10
0.390
VLA-UNK-ba665ac8-1
0.390
VLA-UCB-50c39ae8-2
0.388
VLA-UCB-05e51b3f-5
0.388
BEN-BAS-c2bc0d80-6
0.388
MAT-POS-94643566-1
0.388
VLA-UNK-c65c1026-2
0.388
ALP-UNI-58319883-2
0.387
PET-UNK-431b3bfb-1
0.387
PET-UNK-eeb64427-2
0.387
MAT-POS-1bed62cf-2
0.387
LUO-POS-868e8996-7
0.387
LUO-POS-868e8996-8
0.387
PET-UNK-eeb64427-5
0.387
VLA-MRT-8c78ee15-3
0.385
MAT-POS-ddfe83c6-4
0.385
VLA-MRT-a639d434-1
0.385
PET-UNK-7b413b46-4
0.383
PET-UNK-7b413b46-8
0.383
PET-UNK-3e354a91-1
0.383
DAR-DIA-b80f1cd7-4
0.382
EDJ-MED-a6bd6de0-1
0.382
EDJ-MED-b0f3342b-1
0.382
JOH-MSK-4bb3d434-3
0.381
MAT-POS-24589f88-14
0.380