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DocumentationIdentifier: MM297838
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297838 |
| SMILES |
C=C(C)C(C)C(C=O)CC
|
| InChIKey |
HPQOZSYQZHSQCF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160207
Similarity: 0.7925
Similarity to MM160207
| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253871
Similarity: 0.7576
Similarity to MM253871
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8621 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67919
Similarity: 0.7478
Similarity to MM67919
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8557 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+383 more
