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DocumentationIdentifier: MM269162
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269162 |
| SMILES |
CCC(O)C(=O)OC(C)C
|
| InChIKey |
UYFVTZQNQVINFT-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172997
Similarity: 0.8361
Similarity to MM172997
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350248
Similarity: 0.7669
Similarity to MM350248
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8681 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40813
Similarity: 0.7459
Similarity to MM40813
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+511 more
