Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM116142
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116142 |
| SMILES |
C#CC(CO)NC=N
|
| InChIKey |
AGNJZOUKNDGIRZ-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199587
Similarity: 0.8
Similarity to MM199587
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178361
Similarity: 0.7556
Similarity to MM178361
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139498
Similarity: 0.701
Similarity to MM139498
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+425 more
