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PUBCHEM-ZINC06424956

 MMsINC code: MMs03724562
Type: Neutral
Formula: C15H16Cl2N2O4S
SMILES:   Clc1cc(SC=2N(COCCO)C(=O)NC(=O)C=2CC)cc(Cl)c1
InChI:   InChI=1/C15H16Cl2N2O4S/c1-2-12-13(21)18-15(22)19(8-23-4-3-20)14(12)24-11-6-9(16)5-10(17)7-11/h5-7,20H,2-4,8H2,1H3,(H,18,21,22)

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Potential Energy
Epot(MMFF94)=24.2203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.275 g/mol  logS: -5.12391  SlogP: 3.2253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.340973  Sterimol/B1: 2.3091  Sterimol/B2: 2.35836  Sterimol/B3: 6.80495
  Sterimol/B4: 8.5694  Sterimol/L: 13.9807 
 
 Surface and Volume Properties
  Accessible surface: 585.468  Positive charged surface: 292.058  Negative charged surface: 293.41  Volume: 322.5
  Hydrophobic surface: 383.936  Hydrophilic surface: 201.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.