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ASINEX-ZINC00166205

 MMsINC code: MMs00083410
Type: Neutral
Formula: C11H12ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(O)=O)cc1
InChI:   InChI=1/C11H12ClNO4S/c12-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=37.9215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.739 g/mol  logS: -2.58095  SlogP: 1.5777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174925  Sterimol/B1: 2.85866  Sterimol/B2: 3.57155  Sterimol/B3: 4.54874
  Sterimol/B4: 5.57763  Sterimol/L: 12.9476 
 
 Surface and Volume Properties
  Accessible surface: 457.53  Positive charged surface: 229.717  Negative charged surface: 227.813  Volume: 235.125
  Hydrophobic surface: 330.462  Hydrophilic surface: 127.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00083411
ASINEX-ZINC00166205