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DocumentationIdentifier: MM297898
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297898 |
| SMILES |
CCC(C=O)C(O)C(C)=O
|
| InChIKey |
QHCCTJWUHFBXDF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253888
Similarity: 0.8227
Similarity to MM253888
| Tanimoto metric | 0.8227 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9027 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47286
Similarity: 0.7642
Similarity to MM47286
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298118
Similarity: 0.7218
Similarity to MM298118
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.8384 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
