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DocumentationIdentifier: MM358057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358057 |
| SMILES |
C#CC(C)C(C)C#CC=O
|
| InChIKey |
HSOBWGLDQQFDKW-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.09
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163502
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| Tanimoto metric | 0.8333 |
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| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.48 |
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|---|---|---|---|---|---|
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Total active interactions
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MM281337
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| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8955 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+439 more
