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DocumentationIdentifier: MM371106
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371106 |
| SMILES |
C#CC(F)=COC=CC=C
|
| InChIKey |
SDLKRRVIYZXALE-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171398
Similarity: 0.8537
Similarity to MM171398
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371126
Similarity: 0.8333
Similarity to MM371126
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9091 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114844
Similarity: 0.7561
Similarity to MM114844
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8611 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+441 more
