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DocumentationIdentifier: MM361394
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361394 |
| SMILES |
C=CC(=O)C(C)=CC=CC
|
| InChIKey |
XYSGSTMSZJPMTA-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
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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MM175618
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| Tanimoto metric | 0.8476 |
|---|---|
| Cosine metric | 0.9207 |
| Dice metric | 0.9175 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163995
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| Tanimoto metric | 0.781 |
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| Cosine metric | 0.8837 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM295544
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| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8542 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
