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DocumentationIdentifier: MM246373
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246373 |
| SMILES |
C=C(OC(=O)CO)C(C)O
|
| InChIKey |
KZACIHAVJPXONK-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40849
Similarity: 0.8042
Similarity to MM40849
| Tanimoto metric | 0.8042 |
|---|---|
| Cosine metric | 0.8968 |
| Dice metric | 0.8915 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142667
Similarity: 0.7063
Similarity to MM142667
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8279 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246377
Similarity: 0.7048
Similarity to MM246377
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8269 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+78 more
