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DocumentationIdentifier: MM385747
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385747 |
| SMILES |
C=CCC=C(CC)CC=C
|
| InChIKey |
SLNJMDAKFSPQEQ-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178932
Similarity: 0.9508
Similarity to MM178932
| Tanimoto metric | 0.9508 |
|---|---|
| Cosine metric | 0.9751 |
| Dice metric | 0.9748 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385590
Similarity: 0.8406
Similarity to MM385590
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9134 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274344
Similarity: 0.7733
Similarity to MM274344
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8722 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+742 more
