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KEYORGANICS-ZINC03063556

 MMsINC code: MMs02111936
Type: Neutral
Formula: C20H14Cl2N2O
SMILES:   Clc1ccc(cc1)COn1c2cc(Cl)ccc2nc1-c1ccccc1
InChI:   InChI=1/C20H14Cl2N2O/c21-16-8-6-14(7-9-16)13-25-24-19-12-17(22)10-11-18(19)23-20(24)15-4-2-1-3-5-15/h1-12H,13H2

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Potential Energy
Epot(MMFF94)=82.4807 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: 0.0165543  Sterimol/B1: 2.53179  Sterimol/B2: 2.64238  Sterimol/B3: 2.90424
  Sterimol/B4: 11.3985  Sterimol/L: 15.8233 
 
 Surface and Volume Properties
  Accessible surface: 594.002  Positive charged surface: 237.196  Negative charged surface: 356.806  Volume: 330.625
  Hydrophobic surface: 558.489  Hydrophilic surface: 35.513
 
 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.