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IBS-ZINC00341764

 MMsINC code: MMs01734980
Type: Neutral
Formula: C13H10Cl2N2O2
SMILES:   Clc1ncccc1NC(=O)COc1ccc(Cl)cc1
InChI:   InChI=1/C13H10Cl2N2O2/c14-9-3-5-10(6-4-9)19-8-12(18)17-11-2-1-7-16-13(11)15/h1-7H,8H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=84.6863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.141 g/mol  logS: -3.95339  SlogP: 3.4059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00968924  Sterimol/B1: 2.18494  Sterimol/B2: 2.64376  Sterimol/B3: 3.09612
  Sterimol/B4: 6.26945  Sterimol/L: 17.5666 
 
 Surface and Volume Properties
  Accessible surface: 507.514  Positive charged surface: 233.02  Negative charged surface: 274.495  Volume: 250.125
  Hydrophobic surface: 438.977  Hydrophilic surface: 68.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.