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DocumentationIdentifier: MM339525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339525 |
| SMILES |
C=CC(=CC(F)=CC)OC
|
| InChIKey |
HDMWNVKBBOJBNE-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM151058
Similarity: 0.7727
Similarity to MM151058
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143902
Similarity: 0.75
Similarity to MM143902
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268153
Similarity: 0.6429
Similarity to MM268153
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7833 |
| Dice metric | 0.7826 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+93 more
