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DocumentationIdentifier: MM328413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328413 |
| SMILES |
CCC(=O)CC(CO)CO
|
| InChIKey |
SYVOZCQDWXPMNS-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42837
Similarity: 0.8765
Similarity to MM42837
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245991
Similarity: 0.7634
Similarity to MM245991
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8659 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328405
Similarity: 0.6961
Similarity to MM328405
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.8208 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+320 more
