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DocumentationIdentifier: MM52887
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM52887 |
| SMILES |
CC(C)C(C#N)C(N)=O
|
| InChIKey |
CLNJMIXFJQXEKR-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM117021
Similarity: 0.7708
Similarity to MM117021
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180007
Similarity: 0.6609
Similarity to MM180007
| Tanimoto metric | 0.6609 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7958 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52280
Similarity: 0.6356
Similarity to MM52280
| Tanimoto metric | 0.6356 |
|---|---|
| Cosine metric | 0.7772 |
| Dice metric | 0.7772 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
