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CHEMDIV-ZINC04881112

 MMsINC code: MMs00960291
Type: Neutral
Formula: C19H17ClN2O4
SMILES:   Clc1cccc(NC(=O)c2noc(c2)-c2cc(OC)ccc2OC)c1C
InChI:   InChI=1/C19H17ClN2O4/c1-11-14(20)5-4-6-15(11)21-19(23)16-10-18(26-22-16)13-9-12(24-2)7-8-17(13)25-3/h4-10H,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=118.405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.808 g/mol  logS: -5.54484  SlogP: 4.57292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052821  Sterimol/B1: 2.25275  Sterimol/B2: 4.98512  Sterimol/B3: 6.0225
  Sterimol/B4: 6.12768  Sterimol/L: 18.83 
 
 Surface and Volume Properties
  Accessible surface: 632.171  Positive charged surface: 380.186  Negative charged surface: 251.986  Volume: 334.25
  Hydrophobic surface: 552.204  Hydrophilic surface: 79.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.