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DocumentationIdentifier: MM225576
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225576 |
| SMILES |
CCC(C)(O)C(C)C(C)=O
|
| InChIKey |
LVNRFVSHPNTRQK-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160099
Similarity: 0.7164
Similarity to MM160099
| Tanimoto metric | 0.7164 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8348 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223766
Similarity: 0.6943
Similarity to MM223766
| Tanimoto metric | 0.6943 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57349
Similarity: 0.6939
Similarity to MM57349
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8193 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
