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DocumentationIdentifier: MM157967
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157967 |
| SMILES |
CCCC(=O)C=CC=O
|
| InChIKey |
GLRVVKVYRCSDLF-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.11
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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MM252333
Similarity: 0.8933
Similarity to MM252333
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9452 |
| Dice metric | 0.9437 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8701 |
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| Cosine metric | 0.9328 |
| Dice metric | 0.9306 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107594
Similarity: 0.8358
Similarity to MM107594
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+592 more
