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DocumentationIdentifier: MM130316
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130316 |
| SMILES |
C=CC(F)=CC(C)(C)F
|
| InChIKey |
RCMYQCNPCQBTRP-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
2.77
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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MM104956
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| Tanimoto metric | 0.7253 |
|---|---|
| Cosine metric | 0.8516 |
| Dice metric | 0.8408 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.61 |
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Total active interactions
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MM227513
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| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8018 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
