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ALFAAESAR-ZINC00156678

 MMsINC code: MMs00020228
Type: Neutral
Formula: C10H6Cl4O4
SMILES:   Clc1c(C(OC)=O)c(Cl)c(Cl)c(C(OC)=O)c1Cl
InChI:   InChI=1/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3

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Potential Energy
Epot(MMFF94)=48.6614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.966 g/mol  logS: -5.0855  SlogP: 3.8734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322416  Sterimol/B1: 3.0346  Sterimol/B2: 3.62433  Sterimol/B3: 4.7573
  Sterimol/B4: 4.7591  Sterimol/L: 14.3068 
 
 Surface and Volume Properties
  Accessible surface: 478.527  Positive charged surface: 203.265  Negative charged surface: 275.262  Volume: 239.25
  Hydrophobic surface: 410.148  Hydrophilic surface: 68.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.