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ASINEX-ZINC05003087

 MMsINC code: MMs00432551
Type: Neutral
Formula: C14H13ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(cc2)C(OC)=O)cc1N
InChI:   InChI=1/C14H13ClN2O4S/c1-21-14(18)9-2-4-10(5-3-9)17-22(19,20)11-6-7-12(15)13(16)8-11/h2-8,17H,16H2,1H3

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Potential Energy
Epot(MMFF94)=64.0551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.787 g/mol  logS: -3.88362  SlogP: 2.5096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132687  Sterimol/B1: 3.7493  Sterimol/B2: 4.38356  Sterimol/B3: 4.51841
  Sterimol/B4: 6.08593  Sterimol/L: 14.9533 
 
 Surface and Volume Properties
  Accessible surface: 542.161  Positive charged surface: 297.438  Negative charged surface: 244.723  Volume: 281.5
  Hydrophobic surface: 366.925  Hydrophilic surface: 175.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.