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DocumentationIdentifier: MM215009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215009 |
| SMILES |
C=COC=CCOC=O
|
| InChIKey |
QKSDEAAQMPHLGF-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126653
Similarity: 0.7358
Similarity to MM126653
| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8578 |
| Dice metric | 0.8478 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288152
Similarity: 0.726
Similarity to MM288152
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215306
Similarity: 0.6842
Similarity to MM215306
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8125 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+413 more
