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DocumentationIdentifier: MM228875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228875 |
| SMILES |
C#CC(C)(F)C(F)(F)CO
|
| InChIKey |
ZXSHXGDDNBXUPJ-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137729
Similarity: 0.7019
Similarity to MM137729
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8248 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM131004
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| Tanimoto metric | 0.646 |
|---|---|
| Cosine metric | 0.8037 |
| Dice metric | 0.7849 |
| MW: | 142.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306785
Similarity: 0.6278
Similarity to MM306785
| Tanimoto metric | 0.6278 |
|---|---|
| Cosine metric | 0.7751 |
| Dice metric | 0.7713 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+102 more
