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DocumentationIdentifier: MM195173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM195173 |
| SMILES |
CC1NC1C(C#N)C#N
|
| InChIKey |
WNEGLSWZSPDUPT-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM124392
Similarity: 0.8779
Similarity to MM124392
| Tanimoto metric | 0.8779 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.935 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM314437
Similarity: 0.7892
Similarity to MM314437
| Tanimoto metric | 0.7892 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8822 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM210693
Similarity: 0.7632
Similarity to MM210693
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8657 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
