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CHEMDIV-ZINC00258618

 MMsINC code: MMs00846988
Type: Neutral
Formula: C14H12ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccc(cc2)C(O)=O)cc1
InChI:   InChI=1/C14H12ClNO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16H,9H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=20.2208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.772 g/mol  logS: -3.69445  SlogP: 2.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074742  Sterimol/B1: 3.10082  Sterimol/B2: 3.88137  Sterimol/B3: 4.29534
  Sterimol/B4: 5.71335  Sterimol/L: 17.1758 
 
 Surface and Volume Properties
  Accessible surface: 528.96  Positive charged surface: 233.069  Negative charged surface: 295.891  Volume: 272.875
  Hydrophobic surface: 350.28  Hydrophilic surface: 178.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00846989
CHEMDIV-ZINC00258618