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DocumentationIdentifier: MM286782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM286782 |
| SMILES |
CC(=CC(=O)O)OCCO
|
| InChIKey |
QKCBQWPSXQGAPO-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM252451
Similarity: 0.8679
Similarity to MM252451
| Tanimoto metric | 0.8679 |
|---|---|
| Cosine metric | 0.9316 |
| Dice metric | 0.9293 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16215
Similarity: 0.7381
Similarity to MM16215
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8493 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267678
Similarity: 0.7188
Similarity to MM267678
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8364 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
