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DocumentationIdentifier: MM24322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24322 |
| SMILES |
CC(=O)N(C)CC(C)C#N
|
| InChIKey |
IKQPNKAUIPZVQV-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.62
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: 0.7568
Similarity to MM24057
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24659
Similarity: 0.7027
Similarity to MM24659
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8254 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24234
Similarity: 0.6942
Similarity to MM24234
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8195 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
