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DocumentationIdentifier: MM170936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170936 |
| SMILES |
CC=CC#CC(F)=CF
|
| InChIKey |
RPSRTHRINRWURW-UHFFFAOYSA-N
|
| MW [Da] |
128.12
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
MM369660
Similarity: 0.8947
Similarity to MM369660
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369638
Similarity: 0.8718
Similarity to MM369638
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369602
Similarity: 0.8293
Similarity to MM369602
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+430 more
