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APOLLO-ZINC00168763

 MMsINC code: MMs00048368
Type: Neutral
Formula: C16H12ClFN2O
SMILES:   Clc1cccc(F)c1COc1cc(ccc1)-c1[nH]ncc1
InChI:   InChI=1/C16H12ClFN2O/c17-14-5-2-6-15(18)13(14)10-21-12-4-1-3-11(9-12)16-7-8-19-20-16/h1-9H,10H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=60.4508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.736 g/mol  logS: -5.06365  SlogP: 4.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564479  Sterimol/B1: 2.5546  Sterimol/B2: 3.85365  Sterimol/B3: 4.75537
  Sterimol/B4: 6.90706  Sterimol/L: 16.6903 
 
 Surface and Volume Properties
  Accessible surface: 517.488  Positive charged surface: 253.025  Negative charged surface: 264.463  Volume: 270.125
  Hydrophobic surface: 448.991  Hydrophilic surface: 68.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.