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DocumentationIdentifier: MM111580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111580 |
| SMILES |
CCC(F)C(F)C#N
|
| InChIKey |
UZBUROINONTTSK-UHFFFAOYSA-N
|
| MW [Da] |
119.11
Automatically obtained from RDkit software. |
| LogP |
1.6
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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MM98437
Similarity: 0.7097
Similarity to MM98437
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 105.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111656
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| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7857 |
| MW: | 116.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM97949
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Similarity to MM97949
| Tanimoto metric | 0.6452 |
|---|---|
| Cosine metric | 0.8032 |
| Dice metric | 0.7843 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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