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KEYORGANICS-ZINC03052819

 MMsINC code: MMs02111856
Type: Neutral
Formula: C20H14Cl2N2O
SMILES:   Clc1cc(Cl)ccc1COn1c2c(nc1-c1ccccc1)cccc2
InChI:   InChI=1/C20H14Cl2N2O/c21-16-11-10-15(17(22)12-16)13-25-24-19-9-5-4-8-18(19)23-20(24)14-6-2-1-3-7-14/h1-12H,13H2

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Potential Energy
Epot(MMFF94)=78.9813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.251 g/mol  logS: -7.75351  SlogP: 5.9053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838441  Sterimol/B1: 2.42577  Sterimol/B2: 3.91065  Sterimol/B3: 4.98651
  Sterimol/B4: 10.4769  Sterimol/L: 15.7467 
 
 Surface and Volume Properties
  Accessible surface: 597.286  Positive charged surface: 256.004  Negative charged surface: 341.282  Volume: 332.375
  Hydrophobic surface: 572.224  Hydrophilic surface: 25.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.