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CHEMBRIDGE-ZINC04141862

 MMsINC code: MMs00763226
Type: Neutral
Formula: C10H9F2NO3
SMILES:   FC(F)C1(ON=C(C1)c1ccccc1O)O
InChI:   InChI=1/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=68.3547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.182 g/mol  logS: -1.96768  SlogP: 1.8902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0623718  Sterimol/B1: 2.50562  Sterimol/B2: 3.4154  Sterimol/B3: 3.43189
  Sterimol/B4: 5.69786  Sterimol/L: 12.8583 
 
 Surface and Volume Properties
  Accessible surface: 400.658  Positive charged surface: 199.995  Negative charged surface: 200.662  Volume: 187
  Hydrophobic surface: 207.924  Hydrophilic surface: 192.734
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.