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DocumentationIdentifier: MM67806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67806 |
| SMILES |
CC(=O)C=C(C=O)CCO
|
| InChIKey |
YFGFNXDGIRAUSZ-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179149
Similarity: 0.7431
Similarity to MM179149
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM151021
Similarity: 0.7156
Similarity to MM151021
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385146
Similarity: 0.6885
Similarity to MM385146
| Tanimoto metric | 0.6885 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8155 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
