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CHEMBLOCK-ZINC01076278

 MMsINC code: MMs00514383
Type: Neutral
Formula: C15H18Cl2N2O4S
SMILES:   Clc1cc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)ccc1Cl
InChI:   InChI=1/C15H18Cl2N2O4S/c16-12-4-3-11(10-13(12)17)24(21,22)19-5-1-2-14(19)15(20)18-6-8-23-9-7-18/h3-4,10,14H,1-2,5-9H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=80.9804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.291 g/mol  logS: -3.67746  SlogP: 2.0053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154589  Sterimol/B1: 3.11051  Sterimol/B2: 4.16994  Sterimol/B3: 4.18644
  Sterimol/B4: 7.20536  Sterimol/L: 15.5077 
 
 Surface and Volume Properties
  Accessible surface: 572.058  Positive charged surface: 322.08  Negative charged surface: 249.977  Volume: 322.25
  Hydrophobic surface: 494.322  Hydrophilic surface: 77.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.