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DocumentationIdentifier: MM378946
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378946 |
| SMILES |
CCC1(C#N)NC1C(C)=O
|
| InChIKey |
ZWCFWBJKYBDKHY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM382272
Similarity: 0.7865
Similarity to MM382272
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8805 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM337163
Similarity: 0.7393
Similarity to MM337163
| Tanimoto metric | 0.7393 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8501 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380685
Similarity: 0.7373
Similarity to MM380685
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8488 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
