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DocumentationIdentifier: MM171155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171155 |
| SMILES |
C=CC(F)=CCOCC
|
| InChIKey |
OWUJRZQWQINSHW-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
2.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370186
Similarity: 0.9605
Similarity to MM370186
| Tanimoto metric | 0.9605 |
|---|---|
| Cosine metric | 0.9801 |
| Dice metric | 0.9799 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370081
Similarity: 0.869
Similarity to MM370081
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285026
Similarity: 0.8488
Similarity to MM285026
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
