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DocumentationIdentifier: MM293766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293766 |
| SMILES |
CC#CC=CN(C)C(C)=N
|
| InChIKey |
AVJWDIVRXJTLIJ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.45
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 | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8687 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM153875
Similarity: 0.7019
Similarity to MM153875
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8249 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+275 more
