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DocumentationIdentifier: MM351695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351695 |
| SMILES |
C#CC(O)C(=O)C(C)C#N
|
| InChIKey |
CLLMIDYEXZHRNT-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
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 | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7153 |
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| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.1 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
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| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.21 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+136 more
