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DocumentationIdentifier: MM326761
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326761 |
| SMILES |
CCC(C)NC(C#N)CC
|
| InChIKey |
NQYNTCOEOYQSFC-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198843
Similarity: 0.9079
Similarity to MM198843
| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
| Dice metric | 0.9517 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28247
Similarity: 0.9
Similarity to MM28247
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9474 |
| Dice metric | 0.9474 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198980
Similarity: 0.8125
Similarity to MM198980
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8976 |
| Dice metric | 0.8966 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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