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ACROSORGANICS-ZINC02242747

 MMsINC code: MMs00013269
Type: Neutral
Formula: C11H4Cl6O
SMILES:   Clc1c(Cl)c(Cl)c2c(c1Cl)c(Cl)c(Cl)c(OC)c2
InChI:   InChI=1/C11H4Cl6O/c1-18-4-2-3-5(8(14)7(4)13)9(15)11(17)10(16)6(3)12/h2H,1H3

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Potential Energy
Epot(MMFF94)=109.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.87 g/mol  logS: -7.71888  SlogP: 6.7688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103377  Sterimol/B1: 2.37453  Sterimol/B2: 2.37557  Sterimol/B3: 4.52365
  Sterimol/B4: 6.28119  Sterimol/L: 13.201 
 
 Surface and Volume Properties
  Accessible surface: 466.807  Positive charged surface: 133.253  Negative charged surface: 322.482  Volume: 252.875
  Hydrophobic surface: 460.842  Hydrophilic surface: 5.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.