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DocumentationIdentifier: MM195182
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195182 |
| SMILES |
CC1CN1C(C#N)C#N
|
| InChIKey |
PKDKUASJQDGIFY-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.11
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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MM124418
Similarity: 0.9
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| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM427960
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| Tanimoto metric | 0.8264 |
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| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM445035
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Similarity to MM445035
| Tanimoto metric | 0.8264 |
|---|---|
| Cosine metric | 0.9091 |
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| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
