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DocumentationIdentifier: MM328675
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328675 |
| SMILES |
CCC(=O)NC(CO)CO
|
| InChIKey |
HSQLIHQKMIJWSS-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142049
Similarity: 0.8969
Similarity to MM142049
| Tanimoto metric | 0.8969 |
|---|---|
| Cosine metric | 0.9471 |
| Dice metric | 0.9457 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149935
Similarity: 0.7629
Similarity to MM149935
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64874
Similarity: 0.7565
Similarity to MM64874
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8614 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
