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DocumentationIdentifier: MM228994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228994 |
| SMILES |
CN(C)CC(C)(CO)CO
|
| InChIKey |
MWSMRYINWRINLC-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130644
Similarity: 0.84
Similarity to MM130644
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139211
Similarity: 0.8133
Similarity to MM139211
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312351
Similarity: 0.7821
Similarity to MM312351
| Tanimoto metric | 0.7821 |
|---|---|
| Cosine metric | 0.8805 |
| Dice metric | 0.8777 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
