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PUBCHEM-ZINC00398111

 MMsINC code: MMs02674539
Type: Neutral
Formula: C14H12Cl2N2O2
SMILES:   Clc1cccc(Cl)c1NC(=O)Nc1ccccc1OC
InChI:   InChI=1/C14H12Cl2N2O2/c1-20-12-8-3-2-7-11(12)17-14(19)18-13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=94.7104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.168 g/mol  logS: -4.77101  SlogP: 4.646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586844  Sterimol/B1: 2.55251  Sterimol/B2: 3.60998  Sterimol/B3: 4.76064
  Sterimol/B4: 6.93678  Sterimol/L: 14.6597 
 
 Surface and Volume Properties
  Accessible surface: 516.968  Positive charged surface: 274.534  Negative charged surface: 242.434  Volume: 263.875
  Hydrophobic surface: 469.426  Hydrophilic surface: 47.542
 
 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.