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DocumentationIdentifier: MM240857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240857 |
| SMILES |
C#CC(F)(F)CC#CCF
|
| InChIKey |
XZPHQLMPNREJJE-UHFFFAOYSA-N
|
| MW [Da] |
146.11
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138701
Similarity: 0.875
Similarity to MM138701
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240854
Similarity: 0.8229
Similarity to MM240854
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.9029 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131764
Similarity: 0.7727
Similarity to MM131764
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+253 more
