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DocumentationIdentifier: MM199386
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199386 |
| SMILES |
C#CCCC(C#C)C#N
|
| InChIKey |
IAYOWCCQIUBPBJ-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.17
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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MM328268
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Similarity to MM328268
| Tanimoto metric | 0.9014 |
|---|---|
| Cosine metric | 0.9494 |
| Dice metric | 0.9481 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8438 |
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| Cosine metric | 0.9186 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.56 |
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| AI: | 0
Total active interactions
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Similarity to 2-ethynylpentanedinitrile
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.9134 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
