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DocumentationIdentifier: MM167872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167872 |
| SMILES |
C=CCOCC(F)=CC
|
| InChIKey |
DQJZSJYPKIIXTP-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
MM113832
Similarity: 0.8939
Similarity to MM113832
| Tanimoto metric | 0.8939 |
|---|---|
| Cosine metric | 0.9455 |
| Dice metric | 0.944 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM167778
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| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8551 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158783
Similarity: 0.7468
Similarity to MM158783
| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8551 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
