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PUBCHEM-ZINC01008874

 MMsINC code: MMs02755832
Type: Neutral
Formula: C19H18Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C1=NN(C(=O)C)C(C1)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H18Cl2N2O3/c1-11(24)23-17(12-4-7-18(25-2)19(8-12)26-3)10-16(22-23)14-6-5-13(20)9-15(14)21/h4-9,17H,10H2,1-3H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=114.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.27 g/mol  logS: -5.33842  SlogP: 4.8037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212273  Sterimol/B1: 2.24361  Sterimol/B2: 3.72341  Sterimol/B3: 5.74872
  Sterimol/B4: 8.94463  Sterimol/L: 16.5164 
 
 Surface and Volume Properties
  Accessible surface: 626.551  Positive charged surface: 373.86  Negative charged surface: 252.691  Volume: 352.75
  Hydrophobic surface: 569.016  Hydrophilic surface: 57.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.