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DocumentationIdentifier: MM01916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01916 |
| SMILES |
CC(C)C(C)C(C=O)C=O
|
| InChIKey |
XGMOKTFRDJLDET-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160003
Similarity: 0.8525
Similarity to MM160003
| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388187
Similarity: 0.8209
Similarity to MM388187
| Tanimoto metric | 0.8209 |
|---|---|
| Cosine metric | 0.9016 |
| Dice metric | 0.9016 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172152
Similarity: 0.7077
Similarity to MM172152
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8288 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
