Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM84796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84796 |
| SMILES |
C#CC(=O)C(C)OCCO
|
| InChIKey |
WIENQLFAZGTTAO-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172843
Similarity: 0.8443
Similarity to MM172843
| Tanimoto metric | 0.8443 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9156 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350005
Similarity: 0.7591
Similarity to MM350005
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8631 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84816
Similarity: 0.7343
Similarity to MM84816
| Tanimoto metric | 0.7343 |
|---|---|
| Cosine metric | 0.8469 |
| Dice metric | 0.8468 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
