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DocumentationIdentifier: MM274352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274352 |
| SMILES |
C=CCC(=CC(C)O)CO
|
| InChIKey |
ZQCGLYPQFBFDPZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150822
Similarity: 0.767
Similarity to MM150822
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344261
Similarity: 0.7184
Similarity to MM344261
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM270324
Similarity: 0.6953
Similarity to MM270324
| Tanimoto metric | 0.6953 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8203 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+627 more
