Molecular Properties | |
SMILES: | Cc1cc(Cl)c(Cl)cc1C(=O)N1CCCC1(C)C(=O)Nc1cncc2ccccc12 |
MW: | 441.1 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 5.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-c74bc7b3-1
0.475
MAT-POS-c74bc7b3-2
0.475
EDJ-MED-2f867453-2
0.455
MAT-POS-a3f7f96a-1
0.452
RAL-THA-2d450e86-8
0.438
MIC-UNK-ea4eb352-7
0.434
EDJ-MED-4f704dc9-1
0.434
NAU-LAT-2fed8305-2
0.433
EDJ-MED-e4b030d8-13
0.433
BEN-DND-a7517465-4
0.433
VLA-UCB-1dbca3b4-14
0.433
EDJ-MED-e4b030d8-1
0.433
DAR-DIA-6a508060-10
0.433
MAT-POS-8e4737f4-1
0.433
DAR-DIA-0d514e7d-30
0.433
EDJ-MED-9e38fd34-6
0.431
EDJ-MED-9e38fd34-4
0.431
EDJ-MED-9e38fd34-5
0.431
MAT-POS-83f73d0a-3
0.421
MIC-UNK-ea4eb352-8
0.421
DAR-DIA-ecdbc7dd-4
0.420
EDJ-MED-f893e2a1-8
0.420
LUO-POS-433ce175-1
0.419
MAT-POS-2905de8c-3
0.419
MIC-UNK-ea4eb352-5
0.417
MAT-POS-2e8b2191-5
0.415
DAR-DIA-ecdbc7dd-13
0.414
BEN-DND-a02b439d-12
0.413
MAT-POS-89e65850-2
0.413
RAL-THA-2d450e86-27
0.412
DAR-DIA-ecdbc7dd-3
0.412
MAT-POS-c88128cb-4
0.412
EDG-MED-971238d3-11
0.411
PET-UNK-407a74a5-5
0.411
MAT-POS-2e8b2191-4
0.411
EDJ-MED-70ab3faf-1
0.411
MAT-POS-2905de8c-2
0.411
RAL-THA-05e671eb-18
0.411
MAT-POS-23a8a11a-1
0.411
NAU-LAT-2fed8305-7
0.410
MAT-POS-fb82b63d-2
0.410
EDJ-MED-2f867453-1
0.410
MAT-POS-e6dd326d-2
0.409
MAT-POS-45b13633-2
0.409
EDJ-MED-37aac4bd-1
0.407
MAT-POS-806462de-1
0.407
MAT-POS-806462de-2
0.407
MAT-POS-22e8b45a-2
0.407
EDG-MED-90036822-86
0.407
RAL-THA-eb6cb89c-2
0.407
MIC-UNK-ea4eb352-4
0.407
RAL-THA-176e263b-4
0.407
ALP-POS-1cbc2fae-1
0.407
MAT-POS-78e1d523-3
0.407
EDJ-MED-d08626de-3
0.407
MAT-POS-78e1d523-4
0.407
EDJ-MED-d08626de-4
0.407
EDJ-MED-d08626de-5
0.407
EDG-MED-971238d3-1
0.406
MAT-POS-9db1e783-1
0.406
EDJ-MED-4f704dc9-2
0.405
PET-UNK-1abb40f2-4
0.405
PET-UNK-1abb40f2-2
0.405
RAL-THA-58fba2bc-3
0.405
EDG-MED-971238d3-3
0.405
MAT-POS-993cdc78-1
0.405
MAT-POS-993cdc78-2
0.405
ALP-POS-fe871b40-11
0.405
DAR-DIA-ecdbc7dd-11
0.405
EDG-MED-90036822-61
0.405
PET-UNK-3bb57da2-2
0.405
EDJ-MED-9e38fd34-2
0.404
EDJ-MED-9e38fd34-1
0.404
EDJ-MED-9e38fd34-3
0.404
EDJ-MED-d08626de-1
0.404
PET-UNK-c0891748-7
0.404
EDJ-MED-37aac4bd-5
0.404
VLA-UNK-a5257d84-1
0.404
PET-UNK-c0891748-1
0.404
PET-UNK-6da3dcd8-2
0.404
BEN-DND-a02b439d-13
0.404
DAR-DIA-0d514e7d-29
0.404
PET-UNK-29afea89-2
0.404
EDJ-MED-d08626de-2
0.404
DAR-DIA-0d514e7d-28
0.404
EDG-MED-0e5afe9d-3
0.404
ALP-POS-fe871b40-7
0.404
EDJ-MED-424a8a89-2
0.404
VLA-UCB-551c2366-1
0.404
FRA-DIA-13af2da5-2
0.404
MAT-POS-89bd6af1-1
0.403
ALP-POS-c56c1477-4
0.403
MAR-UCB-6ab2ec87-3
0.402
MAT-POS-e119ab4f-4
0.402
MAT-POS-83f73d0a-4
0.402
DAR-DIA-ecdbc7dd-9
0.400
MAT-POS-89bd6af1-3
0.400
MAT-UNK-28cf4d29-1
0.400
MIC-UNK-6e9f8a43-2
0.400
ALP-POS-e266d783-2
0.400