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DocumentationIdentifier: MM88840
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88840 |
| SMILES |
CN(CC=O)C(C#N)CF
|
| InChIKey |
YZVILQAHHUADMH-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406882
Similarity: 0.6667
Similarity to MM406882
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72493
Similarity: 0.65
Similarity to MM72493
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.7879 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36138
Similarity: 0.6081
Similarity to MM36138
| Tanimoto metric | 0.6081 |
|---|---|
| Cosine metric | 0.7563 |
| Dice metric | 0.7563 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
