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DocumentationIdentifier: MM280776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280776 |
| SMILES |
C#CC=COC(=C)C=CF
|
| InChIKey |
GKEAHTNSKJWCOW-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
MM168866
Similarity: 0.7609
Similarity to MM168866
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280714
Similarity: 0.7308
Similarity to MM280714
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8444 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375182
Similarity: 0.6796
Similarity to MM375182
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8109 |
| Dice metric | 0.8092 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
