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DocumentationIdentifier: MM245280
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245280 |
| SMILES |
CC(=O)N(C)CC(O)CO
|
| InChIKey |
QPTBEQRNQSOLCB-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326865
Similarity: 0.7941
Similarity to MM326865
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8852 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133663
Similarity: 0.7769
Similarity to MM133663
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8745 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM275211
Similarity: 0.7133
Similarity to MM275211
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8327 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
