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KEYORGANICS-ZINC04072833

 MMsINC code: MMs02120886
Type: Neutral
Formula: C15H10FNO2
SMILES:   Fc1cc(ccc1)-c1onc2c1cc(cc2)C(=O)C
InChI:   InChI=1/C15H10FNO2/c1-9(18)10-5-6-14-13(8-10)15(19-17-14)11-3-2-4-12(16)7-11/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=86.6712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.248 g/mol  logS: -4.88034  SlogP: 3.8365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406139  Sterimol/B1: 2.54597  Sterimol/B2: 2.7954  Sterimol/B3: 3.26213
  Sterimol/B4: 6.51848  Sterimol/L: 13.4494 
 
 Surface and Volume Properties
  Accessible surface: 452.281  Positive charged surface: 212.476  Negative charged surface: 235.621  Volume: 232
  Hydrophobic surface: 373.352  Hydrophilic surface: 78.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.