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DocumentationIdentifier: MM102906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102906 |
| SMILES |
CC(C)(F)C#CC#N
|
| InChIKey |
CTWRWSGMBBRNGJ-UHFFFAOYSA-N
|
| MW [Da] |
111.12
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139151
Similarity: 0.7403
Similarity to MM139151
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 121.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26022
Similarity: 0.7193
Similarity to MM26022
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 97.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97115
Similarity: 0.7018
Similarity to MM97115
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8247 |
| MW: | 100.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+321 more
