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DocumentationIdentifier: MM347622
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM347622 |
| SMILES |
C=CC(=CC=C(F)F)CC
|
| InChIKey |
UGSVOMCIEDDUOW-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
3.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202013
Similarity: 0.8235
Similarity to MM202013
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146746
Similarity: 0.7412
Similarity to MM146746
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146766
Similarity: 0.6941
Similarity to MM146766
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8194 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
