Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationChembl558362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM469358 |
| SMILES |
CNC(CC(C)C)C(=O)NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
| InChIKey |
RPNOSIHPBAAKBQ-UHFFFAOYSA-N
|
| MW [Da] |
485.62
Automatically obtained from RDkit software. |
| LogP |
4.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
Chembl558362
|
Similar entries
Chembl452325
Similarity: 0.7936
Similarity to Chembl452325
| Tanimoto metric | 0.7936 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8849 |
| MW: | 388.5 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | 4.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20647
Similarity: 0.7647
Similarity to MM20647
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 358.43 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20993
Similarity: 0.6497
Similarity to MM20993
| Tanimoto metric | 0.6497 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7877 |
| MW: | 476.61 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 6.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+7 more
