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DocumentationIdentifier: MM20996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM20996 |
| SMILES |
O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
|
| InChIKey |
MUAYITOFLINYIL-UHFFFAOYSA-N
|
| MW [Da] |
480.57
Automatically obtained from RDkit software. |
| LogP |
5.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM20993
Similarity: 0.8609
Similarity to MM20993
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9257 |
| Dice metric | 0.9252 |
| MW: | 476.61 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 6.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20940
Similarity: 0.6979
Similarity to MM20940
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.822 |
| MW: | 391.56 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Chembl608740
Similarity: 0.6885
Similarity to Chembl608740
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 405.59 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
