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DocumentationIdentifier: MM171700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171700 |
| SMILES |
C#CC#CC=C(F)C=O
|
| InChIKey |
DSJVRQIZZHBOGY-UHFFFAOYSA-N
|
| MW [Da] |
122.1
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372064
Similarity: 0.9059
Similarity to MM372064
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114920
Similarity: 0.8182
Similarity to MM114920
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171691
Similarity: 0.7326
Similarity to MM171691
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8456 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+188 more
