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ASINEX-ZINC00797218

 MMsINC code: MMs00168266
Type: Neutral
Formula: C18H19Cl2NO4S2
SMILES:   Clc1cc(S(=O)(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2)ccc1Cl
InChI:   InChI=1/C18H19Cl2NO4S2/c19-17-10-9-15(12-18(17)20)26(22,23)14-7-4-8-16(11-14)27(24,25)21-13-5-2-1-3-6-13/h4,7-13,21H,1-3,5-6H2

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Potential Energy
Epot(MMFF94)=39.8074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.391 g/mol  logS: -6.12713  SlogP: 4.4372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158319  Sterimol/B1: 2.40499  Sterimol/B2: 2.53273  Sterimol/B3: 6.49604
  Sterimol/B4: 8.95682  Sterimol/L: 14.898 
 
 Surface and Volume Properties
  Accessible surface: 642.238  Positive charged surface: 283.541  Negative charged surface: 358.697  Volume: 366.75
  Hydrophobic surface: 510.62  Hydrophilic surface: 131.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.