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DocumentationIdentifier: MM408053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408053 |
| SMILES |
CCC(CF)CC#CCF
|
| InChIKey |
OPQBOOYMXRBXNV-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199692
Similarity: 0.8611
Similarity to MM199692
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408042
Similarity: 0.84
Similarity to MM408042
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.913 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305110
Similarity: 0.8046
Similarity to MM305110
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8948 |
| Dice metric | 0.8917 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+815 more
