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DocumentationIdentifier: MM308215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308215 |
| SMILES |
C=C(C)C(C(C)=O)C(C)=O
|
| InChIKey |
PQBDEVCRJCXDDW-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM389965
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| Tanimoto metric | 0.6853 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8133 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6759 |
|---|---|
| Cosine metric | 0.8221 |
| Dice metric | 0.8066 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244522
Similarity: 0.669
Similarity to MM244522
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8063 |
| Dice metric | 0.8017 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
