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DocumentationIdentifier: MM60242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60242 |
| SMILES |
CC(C)=CC(=O)COC=O
|
| InChIKey |
KGNTXTXUZFXDOR-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
MM357823
Similarity: 0.7168
Similarity to MM357823
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8351 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357875
Similarity: 0.7018
Similarity to MM357875
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8247 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238164
Similarity: 0.6937
Similarity to MM238164
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.8191 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+124 more
