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DocumentationIdentifier: MM171715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171715 |
| SMILES |
C#CC(F)=CC#CC#N
|
| InChIKey |
ROYFPAKLYCZAQX-UHFFFAOYSA-N
|
| MW [Da] |
119.1
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292565
Similarity: 0.8974
Similarity to MM292565
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106668
Similarity: 0.8
Similarity to MM106668
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361224
Similarity: 0.7857
Similarity to MM361224
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.88 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
