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DocumentationIdentifier: MM92250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92250 |
| SMILES |
COCC=CCC(=O)CO
|
| InChIKey |
HVMXZADDIHVALI-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168463
Similarity: 0.8519
Similarity to MM168463
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153636
Similarity: 0.7901
Similarity to MM153636
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36653
Similarity: 0.7284
Similarity to MM36653
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8535 |
| Dice metric | 0.8429 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
