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DocumentationIdentifier: MM24057
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24057 |
| SMILES |
CC(=O)N(C)CCC#N
|
| InChIKey |
XVWNWBDQUDOFRY-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24234
Similarity: 0.8936
Similarity to MM24234
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349449
Similarity: 0.8077
Similarity to MM349449
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24322
Similarity: 0.7568
Similarity to MM24322
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
