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DocumentationIdentifier: MM309972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309972 |
| SMILES |
C=COC(C)C(O)C(=O)O
|
| InChIKey |
NYFTYFSARGDREC-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
MM312965
Similarity: 0.7891
Similarity to MM312965
| Tanimoto metric | 0.7891 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8821 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM333874
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| Tanimoto metric | 0.6802 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8097 |
| MW: | 150.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM299815
Similarity: 0.6724
Similarity to MM299815
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8041 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
