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PUBCHEM-ZINC05401427

 MMsINC code: MMs03258138
Type: Neutral
Formula: C16H12Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1Oc1c(n[nH]c1C)-c1ccc(O)cc1O
InChI:   InChI=1/C16H12Cl2N2O3/c1-8-16(23-14-5-2-9(17)6-12(14)18)15(20-19-8)11-4-3-10(21)7-13(11)22/h2-7,21-22H,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=88.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.189 g/mol  logS: -5.05688  SlogP: 4.89542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157406  Sterimol/B1: 2.84488  Sterimol/B2: 4.20507  Sterimol/B3: 4.87287
  Sterimol/B4: 8.79968  Sterimol/L: 12.1448 
 
 Surface and Volume Properties
  Accessible surface: 545.656  Positive charged surface: 261.105  Negative charged surface: 284.551  Volume: 292.625
  Hydrophobic surface: 396.18  Hydrophilic surface: 149.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.