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DocumentationIdentifier: MM207346
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM207346 |
| SMILES |
CCC(CO)CCC(=O)O
|
| InChIKey |
OIKRTPRZTWWUPG-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
MM207603
Similarity: 0.7961
Similarity to MM207603
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8865 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144228
Similarity: 0.7765
Similarity to MM144228
| Tanimoto metric | 0.7765 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8742 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340399
Similarity: 0.75
Similarity to MM340399
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8571 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
