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DocumentationIdentifier: MM145688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145688 |
| SMILES |
CCC(=O)C=CC(C)C
|
| InChIKey |
MTSUINBHQHHCSL-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
2.18
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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MM225122
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| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255572
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| Tanimoto metric | 0.8533 |
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| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.42 |
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Total active interactions
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MM252232
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Similarity to MM252232
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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