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CHEMDIV-ZINC03908521

 MMsINC code: MMs00920277
Type: Neutral
Formula: C18H14Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)Nc1ccccc1CC
InChI:   InChI=1/C18H14Cl2N2O2/c1-2-11-5-3-4-6-15(11)21-18(23)16-10-17(24-22-16)12-7-8-13(19)14(20)9-12/h3-10H,2H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=90.9185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.228 g/mol  logS: -6.69359  SlogP: 5.46307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148433  Sterimol/B1: 2.24156  Sterimol/B2: 2.51793  Sterimol/B3: 3.45271
  Sterimol/B4: 7.48342  Sterimol/L: 18.8413 
 
 Surface and Volume Properties
  Accessible surface: 596.899  Positive charged surface: 259.594  Negative charged surface: 337.305  Volume: 317.875
  Hydrophobic surface: 512.786  Hydrophilic surface: 84.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.