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DocumentationIdentifier: MM275094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275094 |
| SMILES |
C=CC(CC(C)=O)C(C)C
|
| InChIKey |
XZMMWNBNKWMCDJ-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 |
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| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7449 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8538 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297848
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| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8469 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
