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DocumentationIdentifier: MM130655
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130655 |
| SMILES |
CC(C)CC(C)(C)C#N
|
| InChIKey |
FSKRSJMYNXGUBM-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.58
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 | 0.9608 |
|---|---|
| Cosine metric | 0.9802 |
| Dice metric | 0.98 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
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MM103045
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Similarity to MM103045
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
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