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KEYORGANICS-ZINC03063551

 MMsINC code: MMs02111934
Type: Neutral
Formula: C20H14Cl2N2O
SMILES:   Clc1ccccc1COn1c2cc(Cl)ccc2nc1-c1ccccc1
InChI:   InChI=1/C20H14Cl2N2O/c21-16-10-11-18-19(12-16)24(20(23-18)14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)22/h1-12H,13H2

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Potential Energy
Epot(MMFF94)=81.1709 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: 0.0849593  Sterimol/B1: 2.46913  Sterimol/B2: 3.9268  Sterimol/B3: 4.97714
  Sterimol/B4: 11.5451  Sterimol/L: 14.6015 
 
 Surface and Volume Properties
  Accessible surface: 599.509  Positive charged surface: 257.115  Negative charged surface: 342.394  Volume: 330.25
  Hydrophobic surface: 574.447  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.