Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM413632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413632 |
| SMILES |
CC#CC(=O)C(CO)CO
|
| InChIKey |
PPOWCJPVDGEPEG-UHFFFAOYSA-N
|
| MW [Da] |
142.15
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
MM358747
Similarity: 0.807
Similarity to MM358747
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8932 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197268
Similarity: 0.7864
Similarity to MM197268
| Tanimoto metric | 0.7864 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8804 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358914
Similarity: 0.7797
Similarity to MM358914
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8762 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
