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DocumentationIdentifier: MM171674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171674 |
| SMILES |
C=CC(F)=CC#CCN
|
| InChIKey |
AXPTUGPILWIVOF-UHFFFAOYSA-N
|
| MW [Da] |
125.15
Automatically obtained from RDkit software. |
| LogP |
0.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371878
Similarity: 0.8444
Similarity to MM371878
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114919
Similarity: 0.7763
Similarity to MM114919
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.8741 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57267
Similarity: 0.7368
Similarity to MM57267
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 113.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+472 more
