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DocumentationIdentifier: MM241189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241189 |
| SMILES |
C=CC(F)(F)C=COC=O
|
| InChIKey |
CIKLGGJTFLOYFU-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM131844
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| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 136.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7604 |
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| Cosine metric | 0.872 |
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| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM241188
Similarity: 0.6972
Similarity to MM241188
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8216 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
