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DocumentationIdentifier: MM376554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376554 |
| SMILES |
CCC(O)C(C=O)OC=O
|
| InChIKey |
QZKJEUITBXUNOY-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179754
Similarity: 0.7424
Similarity to MM179754
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49978
Similarity: 0.6591
Similarity to MM49978
| Tanimoto metric | 0.6591 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.7945 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232047
Similarity: 0.5833
Similarity to MM232047
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7369 |
| Dice metric | 0.7368 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
