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DocumentationIdentifier: MM221766
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221766 |
| SMILES |
CCC(CC(C)O)C(=O)O
|
| InChIKey |
SSWKWGMTDDEOIZ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220832
Similarity: 0.7333
Similarity to MM220832
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8462 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258524
Similarity: 0.6763
Similarity to MM258524
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8069 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM286809
Similarity: 0.6714
Similarity to MM286809
| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.8034 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
