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DocumentationIdentifier: MM389001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389001 |
| SMILES |
C#CC(C(C)=O)C(O)C=O
|
| InChIKey |
RQHJREFRVLHEAR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52901
Similarity: 0.75
Similarity to MM52901
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298223
Similarity: 0.6798
Similarity to MM298223
| Tanimoto metric | 0.6798 |
|---|---|
| Cosine metric | 0.8095 |
| Dice metric | 0.8094 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160224
Similarity: 0.6579
Similarity to MM160224
| Tanimoto metric | 0.6579 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.7937 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
