Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM411698
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411698 |
| SMILES |
C=CC(=O)C1NC1C=C
|
| InChIKey |
XEVRSCRYHHFIKR-UHFFFAOYSA-N
|
| MW [Da] |
123.16
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
MM429359
Similarity: 0.8068
Similarity to MM429359
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.8931 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382251
Similarity: 0.7841
Similarity to MM382251
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351984
Similarity: 0.6942
Similarity to MM351984
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8195 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
