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DocumentationIdentifier: MM20940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM20940 |
| SMILES |
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC2CCNCC2)CC1
|
| InChIKey |
SMXYGIYCXXQYLV-UHFFFAOYSA-N
|
| MW [Da] |
391.56
Automatically obtained from RDkit software. |
| LogP |
3.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
Chembl608740
Similarity: 0.9839
Similarity to Chembl608740
| Tanimoto metric | 0.9839 |
|---|---|
| Cosine metric | 0.9919 |
| Dice metric | 0.9919 |
| MW: | 405.59 |
||||
|---|---|---|---|---|---|
| PI: | 0
Total passive interactions
|
| LogP: | 3.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20939
Similarity: 0.7854
Similarity to MM20939
| Tanimoto metric | 0.7854 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8798 |
| MW: | 391.56 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 3.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM20996
Similarity: 0.6979
Similarity to MM20996
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.822 |
| MW: | 480.57 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 5.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
