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DocumentationIdentifier: MM202038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202038 |
| SMILES |
C=CC(=CC=CC)OC
|
| InChIKey |
XYFKFRCZZRBSMI-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM405400
Similarity: 0.8152
Similarity to MM405400
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38410
Similarity: 0.8133
Similarity to MM38410
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347638
Similarity: 0.8065
Similarity to MM347638
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+388 more
