Molecular Properties | |
SMILES: | CC(=O)Nc1ccc2cncc(NC(=O)C3CCNc4cc(Cl)c(Cl)cc43)c2c1 |
MW: | 428.08 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 83.12 |
cLogP: | 5.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-UNI-3735e77e-4
ALF-EVA-b701bd13-2
0.747
EDJ-MED-611d11e7-5
0.733
ALP-UNI-8d415491-6
0.733
MAT-POS-ec6d90b7-5
0.733
EDJ-MED-611d11e7-2
0.719
MAT-POS-ec6d90b7-6
0.719
MAT-POS-96f51285-6
0.719
ALP-UNI-8d415491-5
0.719
EDJ-MED-611d11e7-8
0.719
EDJ-MED-611d11e7-11
0.718
ALP-UNI-8d415491-4
0.718
ALF-EVA-82cf4849-10
0.700
ALP-UNI-3735e77e-4
0.678
MAT-POS-78e1d523-6
0.678
MAT-POS-78e1d523-5
0.678
MAT-POS-f9802937-8
0.678
MAT-POS-f9802937-9
0.678
ALF-EVA-82cf4849-6
0.678
ALP-UNI-8d415491-3
0.674
ALF-EVA-82cf4849-9
0.636
BEN-DND-f06bfa8e-6
0.633
BEN-DND-f06bfa8e-1
0.613
ALF-EVA-82cf4849-7
0.600
EDJ-MED-ee742daa-2
0.567
ALF-EVA-82cf4849-1
0.558
ALF-EVA-b701bd13-5
0.558
ALP-UNI-8d415491-1
0.549
ALP-UNI-ba800595-2
0.536
ALP-POS-fe871b40-10
0.536
ALF-EVA-82cf4849-2
0.525
MAT-POS-86c60949-2
0.525
BEN-DND-d1eb1f41-10
0.525
ALP-UNI-8d415491-2
0.500
DAR-DIA-06c53477-2
0.500
DAR-DIA-06c53477-3
0.500
DAR-DIA-06c53477-1
0.500
BEN-DND-d1eb1f41-3
0.477
ALF-EVA-b701bd13-6
0.475
ALF-EVA-b701bd13-4
0.474
MIC-UNK-91acba05-5
0.470
EDJ-MED-92e193ae-1
0.470
ALP-POS-477dc5b7-2
0.470
EDJ-MED-92e193ae-2
0.470
BEN-DND-02317c5c-5
0.460
MAT-POS-500f4700-2
0.460
ROB-UNI-6ee2df8c-1
0.446
ALF-EVA-82cf4849-5
0.429
MAT-POS-90fd5f68-22
0.429
MIC-UNK-8758c41d-3
0.427
ALP-POS-fe871b40-16
0.427
ALF-EVA-b701bd13-3
0.427
VLA-UNK-56836b69-1
0.427
VLA-UNK-8e76d113-2
0.425
ROB-UNI-611831f5-2
0.423
ALP-POS-fe871b40-6
0.423
VLA-UNK-56836b69-4
0.422
ALP-UNI-ba800595-1
0.417
DAV-ILL-edda7d6f-1
0.417
MAT-POS-ec6d90b7-3
0.415
PET-UNK-f4e47ebd-5
0.415
MAT-POS-a5ef2d74-1
0.415
EDJ-MED-611d11e7-12
0.415
MAT-POS-419aafdb-2
0.414
EDJ-MED-ba7e64f2-1
0.413
PET-UNK-b1ef24dc-11
0.413
BEN-DND-c852c98b-4
0.413
VLA-UNK-8e76d113-1
0.413
EDJ-MED-d9f3798e-3
0.411
MAT-POS-419aafdb-1
0.411
RAL-THA-05e671eb-2
0.408
RYA-UNI-6d7114fd-1
0.408
ALP-POS-869ac754-1
0.408
MAT-POS-96f51285-5
0.406
MAT-POS-ec6d90b7-7
0.406
PET-UNK-7f7e354d-2
0.406
EDJ-MED-611d11e7-6
0.406
BEN-DND-34fc7f90-3
0.402
EDJ-MED-611d11e7-9
0.400
EDJ-MED-1b5395f9-6
0.400
EDJ-MED-611d11e7-3
0.400
BEN-DND-34fc7f90-6
0.400
MAT-POS-96f51285-3
0.400
MAT-POS-96f51285-4
0.400
EDJ-MED-1b5395f9-4
0.400
EDJ-MED-1b5395f9-5
0.400
BEN-DND-4f474d93-2
0.400
ALP-POS-ce760d3f-3
0.400
EDJ-MED-d9f3798e-1
0.398
PET-UNK-b1ef24dc-12
0.396
BEN-DND-a02b439d-10
0.394
ALF-EVA-5b152d2f-2
0.393
PET-UNK-e274cad4-9
0.393
MIC-UNK-8758c41d-1
0.390
ALF-EVA-5b152d2f-3
0.390
EDJ-MED-1b5395f9-3
0.389
EDJ-MED-1b5395f9-1
0.389
EDJ-MED-1b5395f9-2
0.389
PET-UNK-e274cad4-4
0.389
DAR-DIA-0587064e-18
0.388
BEN-DND-a02b439d-11
0.387