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DocumentationIdentifier: MM199626
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM199626 |
| SMILES |
CC=COC(C=O)C=O
|
| InChIKey |
CVMNITLQHJAXIE-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
MM407231
Similarity: 0.8767
Similarity to MM407231
| Tanimoto metric | 0.8767 |
|---|---|
| Cosine metric | 0.9363 |
| Dice metric | 0.9343 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113547
Similarity: 0.875
Similarity to MM113547
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM407007
Similarity: 0.8533
Similarity to MM407007
| Tanimoto metric | 0.8533 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9209 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
