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NCID-ZINC01641150

 MMsINC code: MMs02283166
Type: Neutral
Formula: C10H7Cl5O3
SMILES:   Clc1c(OC(OC(C)C)=O)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H7Cl5O3/c1-3(2)17-10(16)18-9-7(14)5(12)4(11)6(13)8(9)15/h3H,1-2H3

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Potential Energy
Epot(MMFF94)=50.0093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.428 g/mol  logS: -6.13373  SlogP: 5.8774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448375  Sterimol/B1: 2.95638  Sterimol/B2: 3.17801  Sterimol/B3: 3.91261
  Sterimol/B4: 5.76607  Sterimol/L: 14.2944 
 
 Surface and Volume Properties
  Accessible surface: 500.052  Positive charged surface: 156.54  Negative charged surface: 343.512  Volume: 255.875
  Hydrophobic surface: 423.145  Hydrophilic surface: 76.907
 
 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.