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PUBCHEM-ZINC06032156

 MMsINC code: MMs03504839
Type: Neutral
Formula: C16H12Cl2O2
SMILES:   Clc1c(O)cc2c(C(=O)C(C2)(C)c2ccccc2)c1Cl
InChI:   InChI=1/C16H12Cl2O2/c1-16(10-5-3-2-4-6-10)8-9-7-11(19)13(17)14(18)12(9)15(16)20/h2-7,19H,8H2,1H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=86.2809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.176 g/mol  logS: -4.88599  SlogP: 4.39567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163044  Sterimol/B1: 2.15631  Sterimol/B2: 3.92431  Sterimol/B3: 5.19546
  Sterimol/B4: 7.17661  Sterimol/L: 14.0118 
 
 Surface and Volume Properties
  Accessible surface: 490.218  Positive charged surface: 221.313  Negative charged surface: 268.905  Volume: 265.125
  Hydrophobic surface: 406.734  Hydrophilic surface: 83.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.