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DocumentationIdentifier: MM254052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254052 |
| SMILES |
C=C(F)C(O)C(=O)C(C)O
|
| InChIKey |
PYMZYJZWBOXUIP-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
-0.22
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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| Tanimoto metric | 0.7287 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8431 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.76 |
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MM66418
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| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.8015 |
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| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.98 |
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| AI: | 0
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+123 more
