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DocumentationIdentifier: MM48306
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM48306 |
| SMILES |
C=C(C)C(=O)C=CC#N
|
| InChIKey |
LVRANNXDABDDBF-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM357053
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Similarity to MM357053
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247727
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| Tanimoto metric | 0.7438 |
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| Cosine metric | 0.8624 |
| Dice metric | 0.8531 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.6 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108719
Similarity: 0.7333
Similarity to MM108719
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+212 more
