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DocumentationIdentifier: MM375990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375990 |
| SMILES |
CCC(OC=O)C(O)CO
|
| InChIKey |
SAUPKFKIPNKNOH-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406618
Similarity: 0.7008
Similarity to MM406618
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8241 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49978
Similarity: 0.6
Similarity to MM49978
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7564 |
| Dice metric | 0.75 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306691
Similarity: 0.5957
Similarity to MM306691
| Tanimoto metric | 0.5957 |
|---|---|
| Cosine metric | 0.7467 |
| Dice metric | 0.7467 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
