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DocumentationIdentifier: MM238195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238195 |
| SMILES |
CC=CCC(=O)C=C(C)C
|
| InChIKey |
XFTOIXBFHFBUIQ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253359
Similarity: 0.8846
Similarity to MM253359
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9388 |
| Dice metric | 0.9388 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157417
Similarity: 0.7973
Similarity to MM157417
| Tanimoto metric | 0.7973 |
|---|---|
| Cosine metric | 0.8929 |
| Dice metric | 0.8872 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146447
Similarity: 0.7821
Similarity to MM146447
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8777 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
