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DocumentationIdentifier: MM227604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227604 |
| SMILES |
COC(C)=CC(C)(C)C#N
|
| InChIKey |
SPYQFNAIGJRUKP-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
2.09
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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MM143475
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| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7652 |
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| Cosine metric | 0.8678 |
| Dice metric | 0.867 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267521
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Similarity to MM267521
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8325 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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