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DocumentationIdentifier: MM246108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246108 |
| SMILES |
CC(O)C(=O)CC(O)C=O
|
| InChIKey |
NQCARLFDGMDYQX-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142218
Similarity: 0.7545
Similarity to MM142218
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245605
Similarity: 0.7381
Similarity to MM245605
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8493 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245604
Similarity: 0.7008
Similarity to MM245604
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
