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DocumentationIdentifier: MM337163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337163 |
| SMILES |
CC(=O)C1NC1(C#N)C#N
|
| InChIKey |
LCUJETXBWFZNFC-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.67
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: 0.8984
Similarity to MM382272
| Tanimoto metric | 0.8984 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9465 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380685
Similarity: 0.7603
Similarity to MM380685
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8638 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378946
Similarity: 0.7393
Similarity to MM378946
| Tanimoto metric | 0.7393 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8501 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+14 more
