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DocumentationIdentifier: MM170553
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170553 |
| SMILES |
CC(C#CCC=O)C=O
|
| InChIKey |
SMNVODDDLBYTFF-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM322988
Similarity: 0.96
Similarity to MM322988
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9798 |
| Dice metric | 0.9796 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145932
Similarity: 0.92
Similarity to MM145932
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9583 |
| Dice metric | 0.9583 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114514
Similarity: 0.9167
Similarity to MM114514
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
