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DocumentationIdentifier: MM115965
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115965 |
| SMILES |
N=CNC(CO)CO
|
| InChIKey |
VSIVRIUIACKGDT-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97915
Similarity: 0.84
Similarity to MM97915
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 102.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199452
Similarity: 0.7937
Similarity to MM199452
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139293
Similarity: 0.6944
Similarity to MM139293
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8197 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
