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DocumentationIdentifier: MM158456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158456 |
| SMILES |
C#CCC(N)C#CC=C
|
| InChIKey |
WSHCHKDRPQZTHT-UHFFFAOYSA-N
|
| MW [Da] |
119.17
Automatically obtained from RDkit software. |
| LogP |
0.53
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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MM359239
Similarity: 0.9211
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| Tanimoto metric | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM282998
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| Tanimoto metric | 0.8434 |
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| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.92 |
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|---|---|---|---|---|---|
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Total active interactions
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MM114486
Similarity: 0.8429
Similarity to MM114486
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+399 more
