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DocumentationIdentifier: MM262091
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262091 |
| SMILES |
CCC(=O)OC(C)CC=O
|
| InChIKey |
PQWCRDYIGKFKSP-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142078
Similarity: 0.7879
Similarity to MM142078
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328755
Similarity: 0.7222
Similarity to MM328755
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8387 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246022
Similarity: 0.6667
Similarity to MM246022
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.8 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
