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DocumentationIdentifier: MM362160
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362160 |
| SMILES |
CNC(C)C(O)CNC=O
|
| InChIKey |
BBZJEIJWMUVGDY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-1.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162042
Similarity: 0.8182
Similarity to MM162042
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171864
Similarity: 0.7636
Similarity to MM171864
| Tanimoto metric | 0.7636 |
|---|---|
| Cosine metric | 0.8739 |
| Dice metric | 0.866 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171969
Similarity: 0.7333
Similarity to MM171969
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8462 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
