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DocumentationIdentifier: MM38491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM38491 |
| SMILES |
C=CC(C=O)=CC=O
|
| InChIKey |
JUJLHGRWHDPYLG-UHFFFAOYSA-N
|
| MW [Da] |
110.11
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM27732
Similarity: 0.7963
Similarity to MM27732
| Tanimoto metric | 0.7963 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8866 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38490
Similarity: 0.7581
Similarity to MM38490
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8624 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98373
Similarity: 0.7037
Similarity to MM98373
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+287 more
