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DocumentationIdentifier: MM383722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383722 |
| SMILES |
C=CC=C(C=O)C(O)C=O
|
| InChIKey |
VYHDJDWDVZKRSZ-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51045
Similarity: 0.7445
Similarity to MM51045
| Tanimoto metric | 0.7445 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361170
Similarity: 0.6821
Similarity to MM361170
| Tanimoto metric | 0.6821 |
|---|---|
| Cosine metric | 0.8135 |
| Dice metric | 0.811 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383626
Similarity: 0.6374
Similarity to MM383626
| Tanimoto metric | 0.6374 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7786 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
