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APOLLO-ZINC03883202

 MMsINC code: MMs00056274
Type: Neutral
Formula: C12H11Cl2F3N2O2
SMILES:   Clc1cc(cnc1N1CC(Cl)CC1C(OC)=O)C(F)(F)F
InChI:   InChI=1/C12H11Cl2F3N2O2/c1-21-11(20)9-3-7(13)5-19(9)10-8(14)2-6(4-18-10)12(15,16)17/h2,4,7,9H,3,5H2,1H3/t7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=124.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.132 g/mol  logS: -3.68031  SlogP: 3.8443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117122  Sterimol/B1: 2.18336  Sterimol/B2: 3.63846  Sterimol/B3: 3.93623
  Sterimol/B4: 8.90265  Sterimol/L: 12.7524 
 
 Surface and Volume Properties
  Accessible surface: 507.867  Positive charged surface: 238.073  Negative charged surface: 269.794  Volume: 256.875
  Hydrophobic surface: 298.933  Hydrophilic surface: 208.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.