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DocumentationIdentifier: MM240854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240854 |
| SMILES |
C#CC(F)(F)CC#CCC
|
| InChIKey |
WYUKKQRXWYGPPU-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
2.06
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: 0.8851
Similarity to MM138701
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240857
Similarity: 0.8229
Similarity to MM240857
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.9029 |
| MW: | 146.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240874
Similarity: 0.77
Similarity to MM240874
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8701 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
