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OAKWOOD-ZINC04290494

MMsINC code: MMs02551087

Type: Neutral
Formula: C15H14Cl2N2O2
SMILES:   Clc1cc(NC(=O)NOCc2ccccc2Cl)ccc1C
InChI:   InChI=1/C15H14Cl2N2O2/c1-10-6-7-12(8-14(10)17)18-15(20)19-21-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=68.2954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.195 g/mol  logS: -5.0797  SlogP: 4.82152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129315  Sterimol/B1: 2.7194  Sterimol/B2: 3.20146  Sterimol/B3: 3.29046
  Sterimol/B4: 5.64814  Sterimol/L: 17.8842 
 
 Surface and Volume Properties
  Accessible surface: 563.976  Positive charged surface: 272.023  Negative charged surface: 291.953  Volume: 283.75
  Hydrophobic surface: 481.89  Hydrophilic surface: 82.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.