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ASINEX-ZINC04996497

 MMsINC code: MMs00426818
Type: Ionized
Formula: C11H13ClNO4S-
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)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.3483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.747 g/mol  logS: -3.25764  SlogP: 0.5369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230328  Sterimol/B1: 2.08656  Sterimol/B2: 3.46115  Sterimol/B3: 4.12908
  Sterimol/B4: 8.06048  Sterimol/L: 12.6779 
 
 Surface and Volume Properties
  Accessible surface: 467.902  Positive charged surface: 204.156  Negative charged surface: 263.746  Volume: 242.875
  Hydrophobic surface: 292.071  Hydrophilic surface: 175.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00426817
ASINEX-ZINC04996497