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DocumentationIdentifier: MM247195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247195 |
| SMILES |
C=C(OC(C)=CF)C(C)C
|
| InChIKey |
VQCRUEKSVFHPEY-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
3
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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MM143145
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Similarity to MM143145
| Tanimoto metric | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM334827
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| Tanimoto metric | 0.704 |
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| Cosine metric | 0.827 |
| Dice metric | 0.8263 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM133913
Similarity: 0.6937
Similarity to MM133913
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8329 |
| Dice metric | 0.8191 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
