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DocumentationIdentifier: MM145513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145513 |
| SMILES |
C#CC(C)N=CN(C)C
|
| InChIKey |
XHIFNOWPMQTZBJ-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
0.6
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 | 0.7882 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8816 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343590
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| Tanimoto metric | 0.6837 |
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| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169791
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| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8119 |
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| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+241 more
