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DocumentationIdentifier: MM262269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262269 |
| SMILES |
C=CC(=O)CC(C)OC=O
|
| InChIKey |
PDRBUVAVTVODTL-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41031
Similarity: 0.7414
Similarity to MM41031
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48718
Similarity: 0.6466
Similarity to MM48718
| Tanimoto metric | 0.6466 |
|---|---|
| Cosine metric | 0.8041 |
| Dice metric | 0.7853 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262063
Similarity: 0.6232
Similarity to MM262063
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.7679 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
