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DocumentationIdentifier: MM291294
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291294 |
| SMILES |
CCCC(O)COCC=O
|
| InChIKey |
VETPKXXCJOEIDR-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48474
Similarity: 0.8395
Similarity to MM48474
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9128 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291152
Similarity: 0.7412
Similarity to MM291152
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8514 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69291
Similarity: 0.7079
Similarity to MM69291
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.8307 |
| Dice metric | 0.8289 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
