Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM198963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198963 |
| SMILES |
N#CC(CO)COC=O
|
| InChIKey |
NLZCEWHHULWXEC-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112879
Similarity: 0.7826
Similarity to MM112879
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116016
Similarity: 0.7246
Similarity to MM116016
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51259
Similarity: 0.6849
Similarity to MM51259
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8191 |
| Dice metric | 0.813 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
