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DocumentationIdentifier: MM66617
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66617 |
| SMILES |
CC(=CC(C)O)C(O)C=O
|
| InChIKey |
MZPRPUZDERKDEH-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM247843
Similarity: 0.875
Similarity to MM247843
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9333 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360336
Similarity: 0.8203
Similarity to MM360336
| Tanimoto metric | 0.8203 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.9013 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175265
Similarity: 0.7984
Similarity to MM175265
| Tanimoto metric | 0.7984 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
