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ASINEX-ZINC00798703

 MMsINC code: MMs00169103
Type: Neutral
Formula: C13H16Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)C
InChI:   InChI=1/C13H16Cl2N2O4S/c1-16(9-13(18)17-4-6-21-7-5-17)22(19,20)12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3

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Potential Energy
Epot(MMFF94)=69.2376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.253 g/mol  logS: -3.12508  SlogP: 1.4727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0902645  Sterimol/B1: 2.13097  Sterimol/B2: 3.15858  Sterimol/B3: 4.30794
  Sterimol/B4: 8.60664  Sterimol/L: 14.7425 
 
 Surface and Volume Properties
  Accessible surface: 542.347  Positive charged surface: 310.558  Negative charged surface: 231.789  Volume: 293.875
  Hydrophobic surface: 455.729  Hydrophilic surface: 86.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.