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DocumentationIdentifier: MM168791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168791 |
| SMILES |
C=CC(=O)OC=CCO
|
| InChIKey |
GWULEMDNJSVIDN-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113741
Similarity: 0.8356
Similarity to MM113741
| Tanimoto metric | 0.8356 |
|---|---|
| Cosine metric | 0.9141 |
| Dice metric | 0.9104 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33550
Similarity: 0.7671
Similarity to MM33550
| Tanimoto metric | 0.7671 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8682 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153692
Similarity: 0.7342
Similarity to MM153692
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8467 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+348 more
