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DocumentationIdentifier: MM382272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382272 |
| SMILES |
CC(=O)C1NC1(C)C#N
|
| InChIKey |
AWGGJYVXSCOTFN-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM337163
Similarity: 0.8984
Similarity to MM337163
| Tanimoto metric | 0.8984 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9465 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380685
Similarity: 0.8246
Similarity to MM380685
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9039 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386902
Similarity: 0.7893
Similarity to MM386902
| Tanimoto metric | 0.7893 |
|---|---|
| Cosine metric | 0.8884 |
| Dice metric | 0.8822 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
