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DocumentationIdentifier: MM153379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153379 |
| SMILES |
CC(=O)OCC=CC=O
|
| InChIKey |
PGHQVWCJFUMFLW-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
MM105932
Similarity: 0.8154
Similarity to MM105932
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45115
Similarity: 0.726
Similarity to MM45115
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8413 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167607
Similarity: 0.7237
Similarity to MM167607
| Tanimoto metric | 0.7237 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8397 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
