Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)C2(CCNCC2)N1Cc1cccc(Cl)c1 |
MW: | 420.14 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
DAR-DIA-b80f1cd7-12
0.807
DAR-DIA-b80f1cd7-13
0.784
DAR-DIA-b80f1cd7-11
0.717
DAR-DIA-b80f1cd7-4
0.649
DAR-DIA-b80f1cd7-10
0.646
DAR-DIA-b80f1cd7-9
0.622
DAR-DIA-b80f1cd7-5
0.610
DAR-DIA-b80f1cd7-6
0.578
DAR-DIA-b80f1cd7-3
0.569
DAR-DIA-b80f1cd7-7
0.563
DAR-DIA-b80f1cd7-8
0.558
DAR-DIA-b80f1cd7-1
0.537
DAR-DIA-b80f1cd7-2
0.531
DAR-DIA-0f7b7cd9-5
0.485
DAR-DIA-0f7b7cd9-4
0.485
PET-UNK-4dc48bbe-6
0.459
VLA-UCB-1dbca3b4-17
0.459
VLA-UCB-34f3ed0c-15
0.453
VLA-UNK-f702bf1c-7
0.453
VLA-UCB-1dbca3b4-6
0.444
VLA-UCB-1dbca3b4-3
0.443
PET-UNK-689df078-3
0.436
VLA-UNK-db5e3064-2
0.430
PET-UNK-abc197b8-1
0.427
VLA-UCB-1dbca3b4-18
0.427
VLA-UNK-f702bf1c-2
0.425
VLA-UNK-f702bf1c-3
0.421
PET-UNK-7a31b064-2
0.421
PET-UNK-7a31b064-1
0.419
PET-UNK-689df078-4
0.417
VLA-UCB-29506327-1
0.417
VLA-UNK-cf7facf1-1
0.417
VLA-UCB-34f3ed0c-11
0.417
BEN-BAS-c2bc0d80-7
0.414
PET-UNK-689df078-1
0.413
VLA-UCB-1dbca3b4-10
0.413
VLA-UCB-1dbca3b4-13
0.412
PET-UNK-689df078-2
0.410
VLA-UNK-db5e3064-1
0.410
VLA-UNK-f702bf1c-1
0.407
VLA-UNK-f702bf1c-8
0.407
EDJ-MED-24007d8a-2
0.405
PET-UNK-4dc48bbe-8
0.404
VLA-UNK-83c3754c-2
0.404
VLA-UNK-f702bf1c-4
0.403
PET-UNK-7b413b46-6
0.402
PET-UNK-7b413b46-2
0.402
VLA-UCB-34f3ed0c-14
0.402
VLA-UNK-f702bf1c-6
0.402
DAR-DIA-0f7b7cd9-7
0.400
MAT-POS-1f3f1a6f-5
0.396
EDJ-MED-24007d8a-1
0.395
MAT-POS-2e8b2191-8
0.395
EDJ-MED-7587a9ee-1
0.395
VLA-UCB-1dbca3b4-12
0.395
VLA-UNK-56836b69-2
0.394
VLA-UNK-f702bf1c-5
0.394
VLA-UNK-56836b69-3
0.393
PET-UNK-7b413b46-8
0.393
PET-UNK-7b413b46-4
0.393
PET-UNK-7b413b46-7
0.389
PET-UNK-7b413b46-3
0.389
EDJ-MED-cbbe2dbb-3
0.388
DAR-DIA-5d6f1b43-6
0.388
MAT-POS-90505e2b-1
0.387
MAT-POS-ec6d90b7-1
0.387
MAT-POS-ec6d90b7-2
0.387
JOH-MSK-1f2dff76-3
0.387
JOH-MSK-1f2dff76-4
0.387
PET-UNK-7b413b46-5
0.387
PET-UNK-7b413b46-1
0.387
JAG-UCB-f37eaa14-5
0.387
VLA-UCB-34f3ed0c-12
0.386
VLA-UNK-c65c1026-4
0.385
MAT-POS-8695a11f-3
0.385
MAT-POS-d8472c4f-1
0.385
MAT-POS-8695a11f-1
0.385
EDJ-MED-dbcb2afb-1
0.384
VLA-UNK-c65c1026-5
0.384
EDJ-MED-cbbe2dbb-4
0.382
PET-UNK-7be94445-2
0.380
VLA-UNK-70dd90ef-2
0.380
EDJ-MED-a6bd6de0-1
0.379
EDJ-MED-b0f3342b-1
0.379
VLA-MRT-8c78ee15-1
0.378
VLA-MRT-8c78ee15-2
0.378
VLA-MRT-a639d434-3
0.378
MAT-POS-ddfe83c6-5
0.378
EDJ-MED-cbbe2dbb-1
0.378
MIC-UNK-7b6fe9e8-1
0.378
JOH-MSK-b735e33c-1
0.378
JOH-MSK-51c67e7d-1
0.375
YVE-CNR-132fc2df-1
0.375
JOH-MSK-51c67e7d-2
0.375
VLA-UNK-ba665ac8-1
0.374
ALP-UNI-dbb9503d-1
0.374
PET-UNK-626a1084-3
0.373
PET-UNK-626a1084-1
0.373
VLA-UNK-70dd90ef-3
0.373
VLA-UNK-70dd90ef-4
0.373