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DocumentationIdentifier: MM349694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349694 |
| SMILES |
C=CC(=O)C(C)C(O)C=C
|
| InChIKey |
KGVPLOJWINGMPD-UHFFFAOYSA-N
|
| MW [Da] |
140.18
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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MM47298
Similarity: 0.7786
Similarity to MM47298
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389144
Similarity: 0.6875
Similarity to MM389144
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8148 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376791
Similarity: 0.6867
Similarity to MM376791
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8142 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
