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DocumentationIdentifier: MM240874
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240874 |
| SMILES |
C#CC#CCC(F)(F)C#C
|
| InChIKey |
OZPHQCRSMZHRDX-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
1.28
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: 0.8556
Similarity to MM138701
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131784
Similarity: 0.7778
Similarity to MM131784
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240854
Similarity: 0.77
Similarity to MM240854
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8701 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+126 more
