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DocumentationIdentifier: MM331059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331059 |
| SMILES |
C=CC(CO)CC(F)=CC
|
| InChIKey |
BOIONILIOQTKBA-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150010
Similarity: 0.75
Similarity to MM150010
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265375
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| Tanimoto metric | 0.6923 |
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| Cosine metric | 0.8216 |
| Dice metric | 0.8182 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM330893
Similarity: 0.6769
Similarity to MM330893
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8073 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
