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DocumentationIdentifier: MM79216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79216 |
| SMILES |
C=CC(O)C(C)NC
|
| InChIKey |
WZAVYHKCQFHNPT-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM81193
Similarity: 0.8061
Similarity to MM81193
| Tanimoto metric | 0.8061 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8927 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160039
Similarity: 0.767
Similarity to MM160039
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82289
Similarity: 0.7453
Similarity to MM82289
| Tanimoto metric | 0.7453 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8541 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+646 more
