Molecular Properties | |
SMILES: | O=C1N(Cc2cccc(Cl)c2)CC2(CCOCC2)C(=O)N1c1cncc2ccccc12 |
MW: | 435.13 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 62.74 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-b80f1cd7-6
0.831
DAR-DIA-b80f1cd7-4
0.800
DAR-DIA-b80f1cd7-5
0.734
DAR-DIA-b80f1cd7-7
0.680
DAR-DIA-b80f1cd7-8
0.673
DAR-DIA-b80f1cd7-13
0.656
DAR-DIA-b80f1cd7-11
0.633
DAR-DIA-b80f1cd7-9
0.610
DAR-DIA-b80f1cd7-1
0.591
DAR-DIA-b80f1cd7-10
0.569
DAR-DIA-b80f1cd7-14
0.569
DAR-DIA-b80f1cd7-2
0.567
DAR-DIA-b80f1cd7-12
0.563
DAR-DIA-0f7b7cd9-5
0.475
DAR-DIA-0f7b7cd9-4
0.460
PET-UNK-689df078-4
0.437
PET-UNK-7a31b064-2
0.426
VLA-UCB-1dbca3b4-3
0.420
BEN-BAS-c2bc0d80-7
0.420
VLA-UCB-1dbca3b4-18
0.419
PET-UNK-abc197b8-1
0.419
VLA-UCB-29506327-1
0.409
VLA-UNK-cf7facf1-1
0.409
VLA-UCB-34f3ed0c-11
0.409
VLA-UCB-1dbca3b4-6
0.408
VLA-UNK-db5e3064-2
0.408
PET-UNK-4dc48bbe-6
0.408
VLA-UCB-1dbca3b4-17
0.408
PET-UNK-689df078-1
0.406
VLA-UCB-1dbca3b4-10
0.406
VLA-UCB-1dbca3b4-13
0.404
JAG-UCB-f37eaa14-5
0.403
VLA-UNK-db5e3064-1
0.402
PET-UNK-689df078-2
0.402
PET-UNK-689df078-3
0.400
VLA-UCB-34f3ed0c-15
0.398
VLA-UNK-f702bf1c-7
0.398
VLA-UNK-56836b69-3
0.398
PET-UNK-7a31b064-1
0.398
VLA-UNK-83c3754c-2
0.396
VLA-UNK-f702bf1c-2
0.395
PET-UNK-7b413b46-2
0.394
PET-UNK-7b413b46-6
0.394
MAT-POS-ec6d90b7-1
0.393
MAT-POS-90505e2b-1
0.393
MAT-POS-ec6d90b7-2
0.393
DAR-DIA-0f7b7cd9-7
0.392
VLA-UNK-f702bf1c-3
0.392
VLA-UNK-ba665ac8-1
0.391
PET-UNK-626a1084-1
0.390
PET-UNK-626a1084-3
0.390
BEN-BAS-c2bc0d80-6
0.389
MAT-POS-94643566-1
0.389
VLA-UCB-05e51b3f-5
0.389
VLA-UCB-50c39ae8-2
0.389
VLA-UCB-1dbca3b4-12
0.388
EDJ-MED-24007d8a-2
0.387
PET-UNK-aa57768f-8
0.385
PET-UNK-aa57768f-2
0.385
DAR-DIA-5d6f1b43-13
0.385
VLA-UCB-34f3ed0c-14
0.384
VLA-UNK-f702bf1c-6
0.384
MAT-POS-ddfe83c6-5
0.383
VLA-UCB-05e51b3f-6
0.379
VLA-UCB-50c39ae8-3
0.379
VLA-UCB-34f3ed0c-12
0.379
VLA-UNK-70dd90ef-3
0.378
PET-UNK-626a1084-2
0.378
PET-UNK-626a1084-4
0.378
VLA-UNK-f702bf1c-1
0.378
ALP-POS-c3a90b22-10
0.378
VLA-UNK-f702bf1c-8
0.378
MAT-POS-d8472c4f-1
0.377
MAT-POS-8695a11f-3
0.377
MAT-POS-8695a11f-1
0.377
EDJ-MED-24007d8a-1
0.377
VLA-UNK-61877630-4
0.377
VLA-UNK-8e615992-1
0.377
EDJ-MED-7587a9ee-1
0.376
MAT-POS-2e8b2191-8
0.376
VLA-UNK-f702bf1c-4
0.375
EDJ-MED-a6bd6de0-1
0.373
EDJ-MED-b0f3342b-1
0.373
PET-UNK-aa57768f-9
0.373
PET-UNK-aa57768f-3
0.373
VLA-UNK-ba665ac8-2
0.373
PET-UNK-7be94445-2
0.373
PET-UNK-5ddd54c7-1
0.372
EDJ-MED-159244ea-3
0.372
PET-UNK-194f9da3-2
0.372
MAT-POS-983b399a-3
0.372
MIC-UNK-eb20c3e1-4
0.371
BEN-DND-d1eb1f41-7
0.370
MAT-POS-24589f88-14
0.370
DAR-DIA-5d6f1b43-12
0.369
EDJ-MED-159244ea-1
0.368
MAT-POS-983b399a-1
0.368
ALP-POS-477dc5b7-4
0.368
PET-UNK-4c71d490-3
0.368
PET-UNK-4c71d490-7
0.368