Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM72523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72523 |
| SMILES |
C#CCNC(=N)C(C)C=O
|
| InChIKey |
RCYGEMWOSIONBI-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162574
Similarity: 0.708
Similarity to MM162574
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.829 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350816
Similarity: 0.6889
Similarity to MM350816
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8158 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351147
Similarity: 0.6889
Similarity to MM351147
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.8158 |
| Dice metric | 0.8158 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
