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DocumentationIdentifier: MM383626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383626 |
| SMILES |
O=CC(=CCF)C(O)C=O
|
| InChIKey |
QGLDDYJMGHPZQQ-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.36
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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MM51024
Similarity: 0.7413
Similarity to MM51024
| Tanimoto metric | 0.7413 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8514 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM383722
Similarity: 0.6374
Similarity to MM383722
| Tanimoto metric | 0.6374 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7786 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM68170
Similarity: 0.6264
Similarity to MM68170
| Tanimoto metric | 0.6264 |
|---|---|
| Cosine metric | 0.7707 |
| Dice metric | 0.7703 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+68 more
