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DocumentationIdentifier: MM159407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159407 |
| SMILES |
C=CC#CC(F)=CC#N
|
| InChIKey |
HOKQSCWOYZYYKP-UHFFFAOYSA-N
|
| MW [Da] |
121.11
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284561
Similarity: 0.9277
Similarity to MM284561
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108017
Similarity: 0.8571
Similarity to MM108017
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369636
Similarity: 0.8118
Similarity to MM369636
| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.8961 |
| Dice metric | 0.8961 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
