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DocumentationIdentifier: MM23694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23694 |
| SMILES |
CC(C#N)N(C)C=O
|
| InChIKey |
VPZVGXSCNDVIIF-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53310
Similarity: 0.863
Similarity to MM53310
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 123.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23827
Similarity: 0.7412
Similarity to MM23827
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26279
Similarity: 0.6825
Similarity to MM26279
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8113 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
