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DocumentationIdentifier: MM02566
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02566 |
| SMILES |
COC=CC(C=O)C=O
|
| InChIKey |
NXLACELKGMNLIN-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114115
Similarity: 0.8689
Similarity to MM114115
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM425576
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| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169698
Similarity: 0.7571
Similarity to MM169698
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8618 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
