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DocumentationIdentifier: MM136010
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136010 |
| SMILES |
CN(C)CC(F)=CC#N
|
| InChIKey |
ZKUVERLZRMFCBA-UHFFFAOYSA-N
|
| MW [Da] |
128.15
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM265526
Similarity: 0.7885
Similarity to MM265526
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM270703
Similarity: 0.6721
Similarity to MM270703
| Tanimoto metric | 0.6721 |
|---|---|
| Cosine metric | 0.8198 |
| Dice metric | 0.8039 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47094
Similarity: 0.6569
Similarity to MM47094
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.7932 |
| Dice metric | 0.7929 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
