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DocumentationIdentifier: MM387790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387790 |
| SMILES |
CC(=O)N(C)C(C)C=O
|
| InChIKey |
VVNCFCIJLUEUAW-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386456
Similarity: 0.8796
Similarity to MM386456
| Tanimoto metric | 0.8796 |
|---|---|
| Cosine metric | 0.9379 |
| Dice metric | 0.936 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82404
Similarity: 0.709
Similarity to MM82404
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349602
Similarity: 0.709
Similarity to MM349602
| Tanimoto metric | 0.709 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8297 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
