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DocumentationIdentifier: MM196872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196872 |
| SMILES |
O=CC(F)C(CO)CO
|
| InChIKey |
NJCKXSKKWWTBDG-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.88
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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MM111548
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| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6449 |
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| Cosine metric | 0.7892 |
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| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97950
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Similarity to MM97950
| Tanimoto metric | 0.5897 |
|---|---|
| Cosine metric | 0.7679 |
| Dice metric | 0.7419 |
| MW: | 106.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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