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DocumentationIdentifier: MM304334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304334 |
| SMILES |
C=CCC(=CCC)CC=O
|
| InChIKey |
JVRRHNKBRGXWKB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178605
Similarity: 0.8182
Similarity to MM178605
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385751
Similarity: 0.7912
Similarity to MM385751
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8863 |
| Dice metric | 0.8834 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385749
Similarity: 0.7826
Similarity to MM385749
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.878 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
