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DocumentationIdentifier: MM45422
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45422 |
| SMILES |
CC(=O)C=CCOC=O
|
| InChIKey |
GFOLTJIHFCCSFA-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33672
Similarity: 0.7971
Similarity to MM33672
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154127
Similarity: 0.7403
Similarity to MM154127
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8507 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126156
Similarity: 0.6812
Similarity to MM126156
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8103 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
