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DocumentationIdentifier: MM27865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27865 |
| SMILES |
COCOCC=O
|
| InChIKey |
GAOHPGKVCIOCHV-UHFFFAOYSA-N
|
| MW [Da] |
104.11
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39171
Similarity: 0.8857
Similarity to MM39171
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125720
Similarity: 0.7209
Similarity to MM125720
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213015
Similarity: 0.7209
Similarity to MM213015
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8378 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+164 more
