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DocumentationIdentifier: MM327098
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM327098 |
| SMILES |
C=CC(C)OC(C=O)CC
|
| InChIKey |
ZRWQCBSBYQHTLK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199004
Similarity: 0.8021
Similarity to MM199004
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8956 |
| Dice metric | 0.8902 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327094
Similarity: 0.787
Similarity to MM327094
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8808 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141839
Similarity: 0.6979
Similarity to MM141839
| Tanimoto metric | 0.6979 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8221 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
