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DocumentationIdentifier: MM349449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349449 |
| SMILES |
CCC(=O)N(C)CCC#N
|
| InChIKey |
BDNXNGUDCAMSFK-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24057
Similarity: 0.8077
Similarity to MM24057
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24234
Similarity: 0.7368
Similarity to MM24234
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8485 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50296
Similarity: 0.7193
Similarity to MM50296
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8367 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+569 more
