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DocumentationIdentifier: MM197131
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197131 |
| SMILES |
C#CC(C)C(C#N)C#N
|
| InChIKey |
NKJPJZYMUNXUOE-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
0.92
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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MM111661
Similarity: 0.8333
Similarity to MM111661
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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2-ethynyl-3-methylbutanedinitrile
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| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8871 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 104.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+298 more
