Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)C2(CCOCC2)N1Cc1cccc(Cl)c1 |
MW: | 421.12 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
DAR-DIA-b80f1cd7-11
0.805
DAR-DIA-b80f1cd7-14
0.784
DAR-DIA-b80f1cd7-12
0.736
DAR-DIA-b80f1cd7-9
0.663
DAR-DIA-b80f1cd7-3
0.656
DAR-DIA-b80f1cd7-10
0.619
DAR-DIA-b80f1cd7-6
0.616
DAR-DIA-b80f1cd7-7
0.600
DAR-DIA-b80f1cd7-8
0.594
DAR-DIA-b80f1cd7-4
0.559
DAR-DIA-b80f1cd7-5
0.553
DAR-DIA-b80f1cd7-1
0.543
DAR-DIA-b80f1cd7-2
0.536
DAR-DIA-0f7b7cd9-5
0.490
DAR-DIA-0f7b7cd9-4
0.490
BEN-BAS-c2bc0d80-7
0.458
VLA-UCB-1dbca3b4-3
0.448
VLA-UNK-f702bf1c-2
0.441
VLA-UNK-f702bf1c-3
0.437
VLA-UNK-56836b69-3
0.435
VLA-UCB-1dbca3b4-6
0.434
VLA-UNK-83c3754c-2
0.434
VLA-UCB-34f3ed0c-15
0.432
VLA-UNK-f702bf1c-7
0.432
PET-UNK-abc197b8-1
0.431
VLA-UCB-1dbca3b4-18
0.431
VLA-UCB-34f3ed0c-14
0.429
VLA-UNK-f702bf1c-6
0.429
VLA-UNK-db5e3064-1
0.427
PET-UNK-689df078-2
0.427
PET-UNK-689df078-3
0.426
PET-UNK-689df078-4
0.422
VLA-UNK-f702bf1c-1
0.421
VLA-UNK-f702bf1c-8
0.421
VLA-UCB-29506327-1
0.421
VLA-UCB-34f3ed0c-11
0.421
VLA-UNK-cf7facf1-1
0.421
VLA-UNK-db5e3064-2
0.420
VLA-UCB-1dbca3b4-17
0.420
PET-UNK-4dc48bbe-6
0.420
VLA-UNK-f702bf1c-4
0.418
VLA-UCB-1dbca3b4-13
0.416
PET-UNK-7a31b064-2
0.411
MAT-POS-2e8b2191-8
0.411
EDJ-MED-7587a9ee-1
0.411
PET-UNK-7a31b064-1
0.410
EDJ-MED-24007d8a-2
0.408
VLA-UNK-f702bf1c-5
0.408
PET-UNK-7b413b46-6
0.406
PET-UNK-7b413b46-2
0.406
DAR-DIA-0f7b7cd9-7
0.404
VLA-UCB-1dbca3b4-10
0.404
PET-UNK-689df078-1
0.404
MAT-POS-ec6d90b7-2
0.404
MAT-POS-ec6d90b7-1
0.404
MAT-POS-90505e2b-1
0.404
VLA-UCB-34f3ed0c-12
0.402
VLA-UCB-05e51b3f-5
0.400
VLA-UCB-50c39ae8-2
0.400
BEN-BAS-c2bc0d80-6
0.400
MAT-POS-94643566-1
0.400
EDJ-MED-24007d8a-1
0.398
VLA-UCB-1dbca3b4-12
0.398
DAR-DIA-5d6f1b43-13
0.395
VLA-UNK-ba665ac8-2
0.395
MAT-POS-ddfe83c6-5
0.393
JOH-MSK-b735e33c-1
0.392
EDJ-MED-cbbe2dbb-3
0.392
VLA-UCB-50c39ae8-3
0.389
VLA-UCB-05e51b3f-6
0.389
VLA-UNK-ba665ac8-1
0.389
MAT-POS-d8472c4f-1
0.388
MAT-POS-8695a11f-3
0.388
MAT-POS-8695a11f-1
0.388
VLA-UNK-c65c1026-2
0.387
EDJ-MED-dbcb2afb-1
0.387
MIC-UNK-7b6fe9e8-2
0.387
MAT-POS-c2d406ed-2
0.387
VLA-UNK-56836b69-2
0.385
EDJ-MED-cbbe2dbb-4
0.385
PET-UNK-7be94445-2
0.384
EDJ-MED-a6bd6de0-1
0.382
EDJ-MED-b0f3342b-1
0.382
MIC-UNK-7b6fe9e8-1
0.381
EDJ-MED-cbbe2dbb-1
0.381
DAR-DIA-0f7b7cd9-2
0.380
MAT-POS-983b399a-1
0.378
ALP-POS-477dc5b7-4
0.378
EDJ-MED-159244ea-1
0.378
ALP-UNI-dbb9503d-1
0.377
PET-UNK-7be94445-1
0.376
VLA-UNK-70dd90ef-4
0.376
VLA-UNK-83c3754c-1
0.376
VLA-UNK-c65c1026-4
0.376
MIC-UNK-0a05c952-1
0.376
EDJ-MED-3af0740c-6
0.376
VLA-UNK-c65c1026-5
0.375
VLA-UNK-c65c1026-6
0.375
EDJ-MED-cbbe2dbb-2
0.375
ALP-UNI-58319883-2
0.374