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DocumentationIdentifier: MM42645
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM42645 |
| SMILES |
C#CC(C)NC(C)C#N
|
| InChIKey |
IJBURFLLBZSYDA-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328326
Similarity: 0.9079
Similarity to MM328326
| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9517 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73501
Similarity: 0.8519
Similarity to MM73501
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226525
Similarity: 0.7841
Similarity to MM226525
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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