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DocumentationIdentifier: MM326603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326603 |
| SMILES |
CCC(O)CC(C=O)CO
|
| InChIKey |
IMQPFWUDXHCEOL-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141638
Similarity: 0.699
Similarity to MM141638
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8229 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327001
Similarity: 0.6694
Similarity to MM327001
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8019 |
| Dice metric | 0.8019 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326585
Similarity: 0.661
Similarity to MM326585
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7959 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
