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DocumentationIdentifier: MM23733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23733 |
| SMILES |
CC(C#N)CC(=O)N(C)C
|
| InChIKey |
HGGXEQWDPZPGJF-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
MM80123
Similarity: 0.7647
Similarity to MM80123
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8667 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23520
Similarity: 0.7455
Similarity to MM23520
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8634 |
| Dice metric | 0.8542 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262689
Similarity: 0.7165
Similarity to MM262689
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8349 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
