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DocumentationIdentifier: MM229840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229840 |
| SMILES |
C=CC(C)(C=C)C(C)(C)C
|
| InChIKey |
PEPIQLJVSSVPBV-UHFFFAOYSA-N
|
| MW [Da] |
138.25
Automatically obtained from RDkit software. |
| LogP |
3.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131016
Similarity: 0.7931
Similarity to MM131016
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228879
Similarity: 0.75
Similarity to MM228879
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8571 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137648
Similarity: 0.7188
Similarity to MM137648
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8364 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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