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DocumentationIdentifier: MM298078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298078 |
| SMILES |
CCCC(O)C(=O)C(C)O
|
| InChIKey |
QYEWBVLYCAELSZ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50067
Similarity: 0.7981
Similarity to MM50067
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350987
Similarity: 0.7209
Similarity to MM350987
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8395 |
| Dice metric | 0.8378 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172340
Similarity: 0.6696
Similarity to MM172340
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8021 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
