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DocumentationIdentifier: MM350248
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350248 |
| SMILES |
CCCOC(=O)C(O)CC
|
| InChIKey |
JHNDTEVRALJVEI-UHFFFAOYSA-N
|
| MW [Da] |
146.19
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
MM172997
Similarity: 0.9027
Similarity to MM172997
| Tanimoto metric | 0.9027 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9488 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350250
Similarity: 0.8548
Similarity to MM350250
| Tanimoto metric | 0.8548 |
|---|---|
| Cosine metric | 0.9219 |
| Dice metric | 0.9217 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73169
Similarity: 0.7983
Similarity to MM73169
| Tanimoto metric | 0.7983 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8879 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+572 more
