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DocumentationIdentifier: MM232782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232782 |
| SMILES |
C=CCOC=CC(C)(C)F
|
| InChIKey |
JDAWXKCOKPGYCG-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.45
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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MM131809
Similarity: 0.869
Similarity to MM131809
| Tanimoto metric | 0.869 |
|---|---|
| Cosine metric | 0.9322 |
| Dice metric | 0.9299 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM154067
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| Tanimoto metric | 0.7976 |
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| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM232741
Similarity: 0.7766
Similarity to MM232741
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8743 |
| Dice metric | 0.8743 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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