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DocumentationIdentifier: MM197088
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197088 |
| SMILES |
O=CC(C=O)C(O)CO
|
| InChIKey |
OSGGYRUYFDDDDH-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-1.65
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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MM111558
Similarity: 0.8533
Similarity to MM111558
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7353 |
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| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320166
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| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
