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DocumentationIdentifier: MM255911
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255911 |
| SMILES |
CC(C)=CCC(C)C(=O)O
|
| InChIKey |
RHOVEHOUFDXMJJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162849
Similarity: 0.8571
Similarity to MM162849
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251632
Similarity: 0.7706
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| Tanimoto metric | 0.7706 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8705 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304276
Similarity: 0.7636
Similarity to MM304276
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.866 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
