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CHEMBLOCK-ZINC06668051

 MMsINC code: MMs00582207
Type: Neutral
Formula: C16H13FN2O2
SMILES:   Fc1ccc(-n2nc(cc2O)-c2ccc(OC)cc2)cc1
InChI:   InChI=1/C16H13FN2O2/c1-21-14-8-2-11(3-9-14)15-10-16(20)19(18-15)13-6-4-12(17)5-7-13/h2-10,20H,1H3

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Potential Energy
Epot(MMFF94)=93.1638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.29 g/mol  logS: -4.22864  SlogP: 3.3926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152576  Sterimol/B1: 2.68513  Sterimol/B2: 2.71452  Sterimol/B3: 4.11129
  Sterimol/B4: 4.72041  Sterimol/L: 17.7398 
 
 Surface and Volume Properties
  Accessible surface: 519.889  Positive charged surface: 292.848  Negative charged surface: 227.041  Volume: 261.5
  Hydrophobic surface: 450.315  Hydrophilic surface: 69.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.