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NCID-ZINC03954364

 MMsINC code: MMs02382279
Type: Neutral
Formula: C32H18Cl4O4
SMILES:   Clc1c(Cl)c(Cl)c2c(C(OC2=O)(c2cc(-c3ccccc3)c(O)cc2)c2cc(-c3cc
ccc3)c(O)cc2)c1Cl
InChI:   InChI=1/C32H18Cl4O4/c33-27-25-26(28(34)30(36)29(27)35)32(40-31(25)39,19-11-13-23(37)21(15-19)17-7-3-1-4-8-17)20-12-14-24(38)22(16-20)18-9-5-2-6-10-18/h1-16,37-38H

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Potential Energy
Epot(MMFF94)=174.04 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 608.304 g/mol  logS: -12.4908  SlogP: 9.8192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17856  Sterimol/B1: 3.08986  Sterimol/B2: 4.50805  Sterimol/B3: 5.73774
  Sterimol/B4: 12.0519  Sterimol/L: 16.2611 
 
 Surface and Volume Properties
  Accessible surface: 812.845  Positive charged surface: 344.519  Negative charged surface: 461.006  Volume: 508.875
  Hydrophobic surface: 687.625  Hydrophilic surface: 125.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.