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NCID-ZINC01648313

 MMsINC code: MMs02288489
Type: Neutral
Formula: C10H6Cl4O4
SMILES:   Clc1c(C(OCC)=O)c(C(O)=O)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H6Cl4O4/c1-2-18-10(17)4-3(9(15)16)5(11)7(13)8(14)6(4)12/h2H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=37.0854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.966 g/mol  logS: -5.00038  SlogP: 4.1751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933135  Sterimol/B1: 2.23572  Sterimol/B2: 4.53568  Sterimol/B3: 4.93867
  Sterimol/B4: 5.44215  Sterimol/L: 13.6041 
 
 Surface and Volume Properties
  Accessible surface: 474.02  Positive charged surface: 162.28  Negative charged surface: 311.74  Volume: 239.25
  Hydrophobic surface: 344.764  Hydrophilic surface: 129.256
 
 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: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02288490
NCID-ZINC01648313