Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM198865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198865 |
| SMILES |
C=CC(CO)OCCO
|
| InChIKey |
AQECTALTJJZXSV-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326792
Similarity: 0.8961
Similarity to MM326792
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116032
Similarity: 0.8551
Similarity to MM116032
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199008
Similarity: 0.8514
Similarity to MM199008
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9197 |
| Dice metric | 0.9197 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+659 more
