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DocumentationIdentifier: MM206065
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206065 |
| SMILES |
CC(C)C(O)CCC(=O)O
|
| InChIKey |
GNEPNFNLYWXXTJ-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
MM206638
Similarity: 0.7551
Similarity to MM206638
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8605 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206071
Similarity: 0.6555
Similarity to MM206071
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7919 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220832
Similarity: 0.6406
Similarity to MM220832
| Tanimoto metric | 0.6406 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.781 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
