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CHEMSTAR-ZINC04017532

 MMsINC code: MMs01088153
Type: Neutral
Formula: C20H10Cl4O4
SMILES:   Clc1c(Cl)c(Cl)c2c(C(OC2=O)(c2cc(O)ccc2)c2ccc(O)cc2)c1Cl
InChI:   InChI=1/C20H10Cl4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-4-6-11(25)7-5-9)10-2-1-3-12(26)8-10/h1-8,25-26H/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=112.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.108 g/mol  logS: -7.63807  SlogP: 6.4852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.332917  Sterimol/B1: 2.4741  Sterimol/B2: 4.45084  Sterimol/B3: 6.10491
  Sterimol/B4: 9.55726  Sterimol/L: 13.1505 
 
 Surface and Volume Properties
  Accessible surface: 592.459  Positive charged surface: 227.049  Negative charged surface: 365.411  Volume: 351.75
  Hydrophobic surface: 443.321  Hydrophilic surface: 149.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.