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CHEMDIV-ZINC03907781

 MMsINC code: MMs00919841
Type: Neutral
Formula: C17H13ClN2O3
SMILES:   Clc1cccc(NC(=O)c2noc(c2)-c2ccc(O)cc2)c1C
InChI:   InChI=1/C17H13ClN2O3/c1-10-13(18)3-2-4-14(10)19-17(22)15-9-16(23-20-15)11-5-7-12(21)8-6-11/h2-9,21H,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=90.7046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.755 g/mol  logS: -5.08213  SlogP: 4.26132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122678  Sterimol/B1: 2.06191  Sterimol/B2: 2.50715  Sterimol/B3: 3.04272
  Sterimol/B4: 6.64639  Sterimol/L: 18.8319 
 
 Surface and Volume Properties
  Accessible surface: 554.393  Positive charged surface: 270.768  Negative charged surface: 283.625  Volume: 291.625
  Hydrophobic surface: 438.182  Hydrophilic surface: 116.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.