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PUBCHEM-ZINC02143566

 MMsINC code: MMs02876458
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)C(=O)NNc1cc(O)ccc1
InChI:   InChI=1/C13H10Cl2N2O2/c14-11-5-4-8(6-12(11)15)13(19)17-16-9-2-1-3-10(18)7-9/h1-7,16,18H,(H,17,19)

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Potential Energy
Epot(MMFF94)=80.3141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -4.15879  SlogP: 3.4559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00159724  Sterimol/B1: 2.14268  Sterimol/B2: 2.19337  Sterimol/B3: 3.47151
  Sterimol/B4: 5.95369  Sterimol/L: 16.3131 
 
 Surface and Volume Properties
  Accessible surface: 501.979  Positive charged surface: 202.07  Negative charged surface: 299.909  Volume: 248.625
  Hydrophobic surface: 388.03  Hydrophilic surface: 113.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.