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DocumentationIdentifier: MM244022
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244022 |
| SMILES |
COCC(C)(C=O)C(C)=O
|
| InChIKey |
CYMHNZZVHRHDGB-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52283
Similarity: 0.735
Similarity to MM52283
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313801
Similarity: 0.6929
Similarity to MM313801
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8186 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313702
Similarity: 0.6667
Similarity to MM313702
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8016 |
| Dice metric | 0.8 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+155 more
