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NCID-ZINC01600364

 MMsINC code: MMs02253546
Type: Neutral
Formula: C21H12Cl4O3
SMILES:   Clc1cc(ccc1Cl)C(=O)c1cc(cc(C(=O)c2cc(Cl)c(Cl)cc2)c1O)C
InChI:   InChI=1/C21H12Cl4O3/c1-10-6-13(19(26)11-2-4-15(22)17(24)8-11)21(28)14(7-10)20(27)12-3-5-16(23)18(25)9-12/h2-9,28H,1H3

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Potential Energy
Epot(MMFF94)=114.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.136 g/mol  logS: -8.57963  SlogP: 6.77622  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170233  Sterimol/B1: 2.10425  Sterimol/B2: 2.77412  Sterimol/B3: 5.62995
  Sterimol/B4: 10.7275  Sterimol/L: 15.3006 
 
 Surface and Volume Properties
  Accessible surface: 637.181  Positive charged surface: 213.936  Negative charged surface: 423.245  Volume: 370.75
  Hydrophobic surface: 541.665  Hydrophilic surface: 95.516
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.