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DocumentationIdentifier: MM47958
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47958 |
| SMILES |
CC(C)C(=O)COC=O
|
| InChIKey |
SJKIELSWVCMMTR-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113184
Similarity: 0.7792
Similarity to MM113184
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8759 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02972
Similarity: 0.6875
Similarity to MM02972
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350424
Similarity: 0.6814
Similarity to MM350424
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
| Dice metric | 0.8105 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
