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DocumentationIdentifier: MM227045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227045 |
| SMILES |
CC(C)(C=O)OC(=O)CO
|
| InChIKey |
BHWDYNLHDYPVRO-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42976
Similarity: 0.7981
Similarity to MM42976
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130862
Similarity: 0.7885
Similarity to MM130862
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411947
Similarity: 0.7411
Similarity to MM411947
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8513 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
