Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)C2(CCNC2)N1Cc1cccc(Cl)c1 |
MW: | 406.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
DAR-DIA-b80f1cd7-14
0.807
DAR-DIA-b80f1cd7-13
0.736
DAR-DIA-b80f1cd7-11
0.728
DAR-DIA-b80f1cd7-10
0.639
DAR-DIA-b80f1cd7-5
0.636
DAR-DIA-b80f1cd7-4
0.626
DAR-DIA-b80f1cd7-9
0.616
DAR-DIA-b80f1cd7-6
0.573
DAR-DIA-b80f1cd7-3
0.563
DAR-DIA-b80f1cd7-8
0.552
DAR-DIA-b80f1cd7-1
0.547
DAR-DIA-b80f1cd7-7
0.543
DAR-DIA-b80f1cd7-2
0.541
DAR-DIA-0f7b7cd9-5
0.495
DAR-DIA-0f7b7cd9-4
0.480
VLA-UCB-1dbca3b4-3
0.454
VLA-UNK-f702bf1c-7
0.437
VLA-UCB-34f3ed0c-15
0.437
PET-UNK-689df078-3
0.431
VLA-UCB-1dbca3b4-6
0.426
VLA-UCB-1dbca3b4-17
0.426
PET-UNK-4dc48bbe-6
0.426
VLA-UCB-1dbca3b4-13
0.422
VLA-UNK-f702bf1c-2
0.421
VLA-UNK-f702bf1c-3
0.418
PET-UNK-689df078-4
0.413
EDJ-MED-24007d8a-2
0.413
VLA-UNK-db5e3064-2
0.412
BEN-BAS-c2bc0d80-7
0.411
VLA-UCB-1dbca3b4-18
0.410
PET-UNK-abc197b8-1
0.410
VLA-UNK-db5e3064-1
0.406
PET-UNK-689df078-2
0.406
PET-UNK-7a31b064-2
0.404
VLA-UNK-f702bf1c-1
0.403
VLA-UNK-f702bf1c-8
0.403
PET-UNK-7a31b064-1
0.402
VLA-UNK-f702bf1c-5
0.402
VLA-UNK-cf7facf1-1
0.400
VLA-UNK-83c3754c-2
0.400
VLA-UCB-34f3ed0c-11
0.400
VLA-UNK-f702bf1c-4
0.400
VLA-UCB-29506327-1
0.400
VLA-UCB-34f3ed0c-14
0.398
VLA-UNK-f702bf1c-6
0.398
VLA-UCB-1dbca3b4-10
0.396
PET-UNK-689df078-1
0.396
DAR-DIA-0f7b7cd9-7
0.396
VLA-UCB-34f3ed0c-12
0.395
VLA-UNK-c65c1026-4
0.394
MAT-POS-d8472c4f-1
0.394
MAT-POS-8695a11f-1
0.394
MAT-POS-8695a11f-3
0.394
VLA-UNK-c65c1026-6
0.393
EDJ-MED-dbcb2afb-1
0.392
EDJ-MED-24007d8a-1
0.392
EDJ-MED-7587a9ee-1
0.391
MAT-POS-2e8b2191-8
0.391
VLA-UCB-1dbca3b4-12
0.391
PET-UNK-7be94445-2
0.390
VLA-UNK-56836b69-3
0.389
VLA-MRT-8c78ee15-1
0.387
VLA-MRT-8c78ee15-2
0.387
VLA-MRT-a639d434-3
0.387
JOH-MSK-b735e33c-1
0.386
EDJ-MED-cbbe2dbb-3
0.385
PET-UNK-7b413b46-2
0.385
PET-UNK-7b413b46-6
0.385
EDJ-MED-d4864bdc-3
0.384
ALP-POS-41e2080f-1
0.384
EDJ-MED-94fddcec-4
0.384
JOH-MSK-1f2dff76-3
0.384
JOH-MSK-1f2dff76-4
0.384
ALP-POS-4483ae88-1
0.383
EDJ-MED-f9b78f78-4
0.383
PET-UNK-7be94445-1
0.382
VLA-UNK-70dd90ef-1
0.382
VLA-UNK-c65c1026-3
0.381
EDJ-MED-cbbe2dbb-4
0.379
VLA-UNK-56836b69-2
0.378
EDJ-MED-96f6b92c-1
0.376
VLA-UNK-70dd90ef-2
0.376
EDJ-MED-a6bd6de0-1
0.376
EDJ-MED-b0f3342b-1
0.376
MIC-UNK-7b6fe9e8-1
0.375
MAT-POS-ddfe83c6-5
0.375
VLA-UCB-34f3ed0c-18
0.375
EDJ-MED-cbbe2dbb-1
0.375
DAR-DIA-5d6f1b43-6
0.373
DAR-DIA-5d6f1b43-12
0.373
PET-UNK-4dc48bbe-8
0.373
MAT-POS-ec6d90b7-2
0.372
YVE-CNR-7d92d73e-1
0.372
MAT-POS-90505e2b-1
0.372
MAT-POS-ec6d90b7-1
0.372
VLA-UNK-ba665ac8-1
0.371
ALP-UNI-dbb9503d-1
0.370
PET-UNK-7b413b46-5
0.370
PET-UNK-7b413b46-1
0.370
PET-UNK-626a1084-1
0.370