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APOLLO-ZINC02157097

 MMsINC code: MMs00050718
Type: Neutral
Formula: C15H9Cl4NO3S
SMILES:   Clc1ccc(cc1)-c1sc(C(OC)=O)c(NC(=O)C(Cl)=C(Cl)Cl)c1
InChI:   InChI=1/C15H9Cl4NO3S/c1-23-15(22)12-9(20-14(21)11(17)13(18)19)6-10(24-12)7-2-4-8(16)5-3-7/h2-6H,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=82.4103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.119 g/mol  logS: -7.89356  SlogP: 5.8969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00463355  Sterimol/B1: 2.353  Sterimol/B2: 2.39481  Sterimol/B3: 2.57045
  Sterimol/B4: 11.6012  Sterimol/L: 15.8238 
 
 Surface and Volume Properties
  Accessible surface: 608.696  Positive charged surface: 215.72  Negative charged surface: 392.977  Volume: 322.875
  Hydrophobic surface: 547.852  Hydrophilic surface: 60.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.