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DocumentationIdentifier: MM15868
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15868 |
| SMILES |
CCC(=O)C(C=O)OC
|
| InChIKey |
NTGNIKPJBILWTJ-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408617
Similarity: 0.7886
Similarity to MM408617
| Tanimoto metric | 0.7886 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8818 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111795
Similarity: 0.7216
Similarity to MM111795
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38689
Similarity: 0.7113
Similarity to MM38689
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+203 more
