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DocumentationIdentifier: MM233432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233432 |
| SMILES |
C=CC(=O)C(C)(C)CCC
|
| InChIKey |
CCQJRKFYNUDXTA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172689
Similarity: 0.7547
Similarity to MM172689
| Tanimoto metric | 0.7547 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8602 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349743
Similarity: 0.7018
Similarity to MM349743
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8247 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349605
Similarity: 0.6667
Similarity to MM349605
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.8 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
