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DocumentationIdentifier: MM143214
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143214 |
| SMILES |
C#CC(=O)CC(C)=CC
|
| InChIKey |
FATHYBKLJMSDMU-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.55
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 | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM248559
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| Tanimoto metric | 0.8505 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.94 |
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MM266224
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Similarity to MM266224
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
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| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+389 more
