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DocumentationIdentifier: MM47298
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47298 |
| SMILES |
C=CC(O)C(C)C(C)=O
|
| InChIKey |
MRKMDRDGCMMFOY-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388540
Similarity: 0.845
Similarity to MM388540
| Tanimoto metric | 0.845 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.916 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299302
Similarity: 0.7956
Similarity to MM299302
| Tanimoto metric | 0.7956 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349694
Similarity: 0.7786
Similarity to MM349694
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
