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DocumentationIdentifier: MM272133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272133 |
| SMILES |
CC(C)NC(C#N)CC#N
|
| InChIKey |
TXZBHBCOXNJYAL-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261674
Similarity: 0.8444
Similarity to MM261674
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9173 |
| Dice metric | 0.9157 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28247
Similarity: 0.7826
Similarity to MM28247
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.878 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326761
Similarity: 0.7826
Similarity to MM326761
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.878 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
