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DocumentationIdentifier: MM336426
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336426 |
| SMILES |
CC(C)C1NC1(C#N)C#N
|
| InChIKey |
ONYBNBJHLNNHSL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM147636
Similarity: 0.8696
Similarity to MM147636
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433604
Similarity: 0.7805
Similarity to MM433604
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8767 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433087
Similarity: 0.7524
Similarity to MM433087
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8587 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
