Molecular Properties | |
SMILES: | O=C1N(Cc2cccc(Cl)c2)CC2(CCNCC2)C(=O)N1c1cncc2ccccc12 |
MW: | 434.15 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.54 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-b80f1cd7-5
0.811
DAR-DIA-b80f1cd7-3
0.800
DAR-DIA-b80f1cd7-6
0.753
DAR-DIA-b80f1cd7-14
0.649
DAR-DIA-b80f1cd7-7
0.646
DAR-DIA-b80f1cd7-8
0.640
DAR-DIA-b80f1cd7-12
0.626
DAR-DIA-b80f1cd7-1
0.609
DAR-DIA-b80f1cd7-10
0.584
DAR-DIA-b80f1cd7-2
0.583
DAR-DIA-b80f1cd7-9
0.578
DAR-DIA-b80f1cd7-11
0.569
DAR-DIA-b80f1cd7-13
0.559
DAR-DIA-0f7b7cd9-5
0.475
DAR-DIA-0f7b7cd9-4
0.460
PET-UNK-689df078-4
0.437
PET-UNK-4dc48bbe-6
0.436
VLA-UCB-1dbca3b4-17
0.436
VLA-UCB-1dbca3b4-3
0.434
PET-UNK-7a31b064-2
0.426
VLA-UCB-1dbca3b4-13
0.417
PET-UNK-689df078-3
0.413
VLA-UNK-f702bf1c-7
0.410
VLA-UCB-34f3ed0c-15
0.410
VLA-UNK-cf7facf1-1
0.409
VLA-UCB-34f3ed0c-11
0.409
VLA-UCB-29506327-1
0.409
VLA-UCB-1dbca3b4-6
0.408
PET-UNK-689df078-1
0.406
VLA-UCB-1dbca3b4-18
0.406
VLA-UCB-1dbca3b4-10
0.406
PET-UNK-abc197b8-1
0.406
JAG-UCB-f37eaa14-5
0.403
PET-UNK-7a31b064-1
0.398
BEN-BAS-c2bc0d80-7
0.395
VLA-UNK-db5e3064-2
0.394
DAR-DIA-0f7b7cd9-7
0.392
VLA-UNK-70dd90ef-3
0.391
MAT-POS-d8472c4f-1
0.390
MAT-POS-8695a11f-3
0.390
MAT-POS-8695a11f-1
0.390
PET-UNK-626a1084-1
0.390
PET-UNK-626a1084-3
0.390
VLA-UNK-db5e3064-1
0.389
PET-UNK-689df078-2
0.389
VLA-UCB-1dbca3b4-12
0.388
PET-UNK-aa57768f-2
0.385
PET-UNK-aa57768f-8
0.385
VLA-UNK-f702bf1c-2
0.384
VLA-UNK-83c3754c-2
0.384
PET-UNK-194f9da3-2
0.384
MAT-POS-ddfe83c6-5
0.383
PET-UNK-4dc48bbe-8
0.382
DAR-DIA-5d6f1b43-6
0.381
VLA-UNK-f702bf1c-3
0.381
PET-UNK-7b413b46-2
0.381
PET-UNK-7b413b46-6
0.381
VLA-UNK-ba665ac8-1
0.379
VLA-UNK-c65c1026-4
0.378
PET-UNK-626a1084-2
0.378
PET-UNK-626a1084-4
0.378
VLA-UNK-c65c1026-3
0.377
VLA-UNK-c65c1026-5
0.377
EDJ-MED-24007d8a-1
0.377
VLA-UNK-61877630-4
0.377
VLA-UNK-8e615992-1
0.377
MAT-POS-2e8b2191-8
0.376
EDJ-MED-7587a9ee-1
0.376
EDJ-MED-24007d8a-2
0.376
MAT-POS-1f3f1a6f-5
0.375
PET-UNK-194f9da3-1
0.375
VLA-UNK-56836b69-3
0.374
EDJ-MED-a6bd6de0-1
0.373
EDJ-MED-b0f3342b-1
0.373
VLA-UCB-34f3ed0c-14
0.373
VLA-UNK-f702bf1c-6
0.373
PET-UNK-aa57768f-3
0.373
PET-UNK-aa57768f-9
0.373
VLA-UNK-70dd90ef-2
0.373
PET-UNK-5ddd54c7-2
0.373
PET-UNK-3e354a91-1
0.373
EDJ-MED-96f6b92c-1
0.373
PET-UNK-7be94445-2
0.373
JOH-MSK-4bb3d434-3
0.372
PET-UNK-5ddd54c7-1
0.372
VLA-MRT-8c78ee15-2
0.372
VLA-MRT-a639d434-3
0.372
VLA-MRT-8c78ee15-1
0.372
BEN-DND-d1eb1f41-7
0.370
MAT-POS-24589f88-14
0.370
DAR-DIA-5d6f1b43-12
0.369
MAT-POS-ec6d90b7-1
0.368
MAT-POS-ec6d90b7-2
0.368
JOH-MSK-1f2dff76-4
0.368
YVE-CNR-7d92d73e-1
0.368
JOH-MSK-1f2dff76-3
0.368
YVE-CNR-132fc2df-1
0.368
MAT-POS-90505e2b-1
0.368
PET-UNK-4c71d490-3
0.368
PET-UNK-4c71d490-7
0.368