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DocumentationIdentifier: MM137679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM137679 |
| SMILES |
N#CC(F)C(F)(F)C#N
|
| InChIKey |
DSPACHBFHMXHPN-UHFFFAOYSA-N
|
| MW [Da] |
134.06
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228887
Similarity: 0.9355
Similarity to MM228887
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 152.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131037
Similarity: 0.8495
Similarity to MM131037
| Tanimoto metric | 0.8495 |
|---|---|
| Cosine metric | 0.9187 |
| Dice metric | 0.9186 |
| MW: | 141.07 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102585
Similarity: 0.8046
Similarity to MM102585
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 123.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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