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DocumentationIdentifier: MM231875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231875 |
| SMILES |
CC(=CC=CF)C(C)(C)C
|
| InChIKey |
FXFZQADPNDMYGM-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
3.46
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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MM163962
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| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 3.16 |
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MM231874
Similarity: 0.7143
Similarity to MM231874
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8333 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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