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MAYBRIDGE-ZINC01043618

 MMsINC code: MMs02155237
Type: Neutral
Formula: C18H14Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OC(=O)c1c(n(nc1C)-c1ccccc1)C
InChI:   InChI=1/C18H14Cl2N2O2/c1-11-17(12(2)22(21-11)14-6-4-3-5-7-14)18(23)24-16-9-8-13(19)10-15(16)20/h3-10H,1-2H3

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Potential Energy
Epot(MMFF94)=100.439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.228 g/mol  logS: -5.74821  SlogP: 5.01514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321429  Sterimol/B1: 2.22906  Sterimol/B2: 2.75139  Sterimol/B3: 3.66491
  Sterimol/B4: 8.01656  Sterimol/L: 18.2881 
 
 Surface and Volume Properties
  Accessible surface: 582.395  Positive charged surface: 246.987  Negative charged surface: 335.409  Volume: 317.75
  Hydrophobic surface: 534.219  Hydrophilic surface: 48.176
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.