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DocumentationIdentifier: MM269415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269415 |
| SMILES |
C=C(F)CC(=O)C(O)C=O
|
| InChIKey |
DUXYOPKWFUQIBL-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.01
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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| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8789 |
| Dice metric | 0.8716 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM66418
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| Tanimoto metric | 0.6512 |
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| Cosine metric | 0.7889 |
| Dice metric | 0.7887 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
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| AI: | 0
Total active interactions
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MM269280
Similarity: 0.6474
Similarity to MM269280
| Tanimoto metric | 0.6474 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.786 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+15 more
