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DocumentationIdentifier: MM350985
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350985 |
| SMILES |
CCC(O)C(=O)C(C)CO
|
| InChIKey |
LKBFCDTZRANSBC-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298282
Similarity: 0.7059
Similarity to MM298282
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8301 |
| Dice metric | 0.8276 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350981
Similarity: 0.6713
Similarity to MM350981
| Tanimoto metric | 0.6713 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8033 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297196
Similarity: 0.6667
Similarity to MM297196
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
