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DocumentationIdentifier: MM194417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194417 |
| SMILES |
CN1C(CO)C1C(=O)CO
|
| InChIKey |
OIOYWLPBTUVCDR-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460610
Similarity: 0.8144
Similarity to MM460610
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8977 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194067
Similarity: 0.6705
Similarity to MM194067
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460926
Similarity: 0.6536
Similarity to MM460926
| Tanimoto metric | 0.6536 |
|---|---|
| Cosine metric | 0.7911 |
| Dice metric | 0.7905 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
