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CHEMDIV-ZINC04881191

 MMsINC code: MMs00960327
Type: Neutral
Formula: C17H12Cl2N2O3
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C17H12Cl2N2O3/c1-23-12-5-3-11(4-6-12)20-17(22)15-9-16(24-21-15)10-2-7-13(18)14(19)8-10/h2-9H,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=96.7603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.2 g/mol  logS: -6.06828  SlogP: 4.9093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00898407  Sterimol/B1: 2.52806  Sterimol/B2: 3.04277  Sterimol/B3: 3.79675
  Sterimol/B4: 5.70344  Sterimol/L: 20.6371 
 
 Surface and Volume Properties
  Accessible surface: 596.988  Positive charged surface: 280.668  Negative charged surface: 316.32  Volume: 307.625
  Hydrophobic surface: 510.247  Hydrophilic surface: 86.741
 
 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.