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ASINEX-ZINC00855871

 MMsINC code: MMs00194958
Type: Neutral
Formula: C20H18ClNO4S2
SMILES:   Clc1ccc(NS(=O)(=O)c2cc(cc(S(=O)(=O)c3ccccc3)c2C)C)cc1
InChI:   InChI=1/C20H18ClNO4S2/c1-14-12-19(27(23,24)18-6-4-3-5-7-18)15(2)20(13-14)28(25,26)22-17-10-8-16(21)9-11-17/h3-13,22H,1-2H3

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Potential Energy
Epot(MMFF94)=95.3919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.952 g/mol  logS: -6.37995  SlogP: 4.59044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145608  Sterimol/B1: 2.12841  Sterimol/B2: 4.37355  Sterimol/B3: 4.63536
  Sterimol/B4: 8.44812  Sterimol/L: 16.7437 
 
 Surface and Volume Properties
  Accessible surface: 622.848  Positive charged surface: 267.765  Negative charged surface: 355.083  Volume: 367.375
  Hydrophobic surface: 497.834  Hydrophilic surface: 125.014
 
 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.