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ASINEX-ZINC04996497

 MMsINC code: MMs00426817
Type: Neutral
Formula: C11H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(CCC)C(O)=O)cc1
InChI:   InChI=1/C11H14ClNO4S/c1-2-3-10(11(14)15)13-18(16,17)9-6-4-8(12)5-7-9/h4-7,10,13H,2-3H2,1H3,(H,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=14.0792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.755 g/mol  logS: -2.99719  SlogP: 1.8716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254942  Sterimol/B1: 2.21855  Sterimol/B2: 4.08248  Sterimol/B3: 4.46037
  Sterimol/B4: 8.01035  Sterimol/L: 12.3768 
 
 Surface and Volume Properties
  Accessible surface: 471.644  Positive charged surface: 228.954  Negative charged surface: 242.689  Volume: 245.5
  Hydrophobic surface: 289.252  Hydrophilic surface: 182.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00426818
ASINEX-ZINC04996497