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DocumentationIdentifier: MM220829
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220829 |
| SMILES |
CCC(O)(CC)CC(=O)O
|
| InChIKey |
QFDBOMUFRUMJQP-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220831
Similarity: 0.7442
Similarity to MM220831
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8564 |
| Dice metric | 0.8533 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57351
Similarity: 0.7385
Similarity to MM57351
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8496 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262759
Similarity: 0.6957
Similarity to MM262759
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8205 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
