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DocumentationIdentifier: MM363829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363829 |
| SMILES |
C=CCCCCC(C)C=O
|
| InChIKey |
XQRPEXINSCDAPK-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
MM166058
Similarity: 0.8197
Similarity to MM166058
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9012 |
| Dice metric | 0.9009 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM291499
Similarity: 0.7612
Similarity to MM291499
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8644 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403232
Similarity: 0.7606
Similarity to MM403232
| Tanimoto metric | 0.7606 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.864 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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