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DocumentationIdentifier: MM389144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389144 |
| SMILES |
C=CC(=O)C(CC)C(C)O
|
| InChIKey |
ICGICUSVJFSFBD-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349245
Similarity: 0.7215
Similarity to MM349245
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8382 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299418
Similarity: 0.6962
Similarity to MM299418
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8209 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349694
Similarity: 0.6875
Similarity to MM349694
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8148 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
