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APOLLO-ZINC00168917

 MMsINC code: MMs00048377
Type: Neutral
Formula: C12H7Cl2F3N2O
SMILES:   Clc1cc(N)ccc1Oc1ncc(cc1Cl)C(F)(F)F
InChI:   InChI=1/C12H7Cl2F3N2O/c13-8-4-7(18)1-2-10(8)20-11-9(14)3-6(5-19-11)12(15,16)17/h1-5H,18H2

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Potential Energy
Epot(MMFF94)=69.0256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.101 g/mol  logS: -4.46672  SlogP: 5.0932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0986204  Sterimol/B1: 2.42436  Sterimol/B2: 4.10887  Sterimol/B3: 5.28135
  Sterimol/B4: 5.89626  Sterimol/L: 13.9692 
 
 Surface and Volume Properties
  Accessible surface: 489.162  Positive charged surface: 186.075  Negative charged surface: 303.088  Volume: 240.625
  Hydrophobic surface: 316.815  Hydrophilic surface: 172.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.