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DocumentationIdentifier: MM127504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127504 |
| SMILES |
CN1C(C#N)C1C#N
|
| InChIKey |
UOKPTJGUBYVRGC-UHFFFAOYSA-N
|
| MW [Da] |
107.12
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102357
Similarity: 0.8763
Similarity to MM102357
| Tanimoto metric | 0.8763 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.9341 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127461
Similarity: 0.7167
Similarity to MM127461
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.835 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218781
Similarity: 0.6846
Similarity to MM218781
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8128 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
