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DocumentationIdentifier: MM42203
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42203 |
| SMILES |
CC(C#N)(CF)CCO
|
| InChIKey |
YYSYBKPLCZPYFX-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308446
Similarity: 0.8039
Similarity to MM308446
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312778
Similarity: 0.6357
Similarity to MM312778
| Tanimoto metric | 0.6357 |
|---|---|
| Cosine metric | 0.7973 |
| Dice metric | 0.7773 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78095
Similarity: 0.6308
Similarity to MM78095
| Tanimoto metric | 0.6308 |
|---|---|
| Cosine metric | 0.7942 |
| Dice metric | 0.7736 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
