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ASINEX-ZINC00283007

 MMsINC code: MMs00107800
Type: Neutral
Formula: C14H12ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(cc2)C(OC)=O)cc1
InChI:   InChI=1/C14H12ClNO4S/c1-20-14(17)10-2-6-12(7-3-10)16-21(18,19)13-8-4-11(15)5-9-13/h2-9,16H,1H3

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Potential Energy
Epot(MMFF94)=50.0103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.772 g/mol  logS: -4.16274  SlogP: 2.9274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135056  Sterimol/B1: 3.73125  Sterimol/B2: 4.37949  Sterimol/B3: 5.02706
  Sterimol/B4: 5.54362  Sterimol/L: 14.1425 
 
 Surface and Volume Properties
  Accessible surface: 523.46  Positive charged surface: 266.441  Negative charged surface: 257.018  Volume: 271.5
  Hydrophobic surface: 401.658  Hydrophilic surface: 121.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.