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DocumentationIdentifier: MM328528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM328528 |
| SMILES |
CNC(CO)CC(=O)CO
|
| InChIKey |
CRQUQXTUEQDHDD-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
-1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM149901
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| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.889 |
| Dice metric | 0.8829 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM261927
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| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8004 |
| Dice metric | 0.8 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328527
Similarity: 0.6577
Similarity to MM328527
| Tanimoto metric | 0.6577 |
|---|---|
| Cosine metric | 0.7935 |
| Dice metric | 0.7935 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
