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OTAVA-ZINC00387295

 MMsINC code: MMs02555089
Type: Neutral
Formula: C14H12ClNO4S
SMILES:   Clc1cc(S(=O)(=O)NCc2ccc(cc2)C(O)=O)ccc1
InChI:   InChI=1/C14H12ClNO4S/c15-12-2-1-3-13(8-12)21(19,20)16-9-10-4-6-11(7-5-10)14(17)18/h1-8,16H,9H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=16.9871 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: 0.081562  Sterimol/B1: 2.74583  Sterimol/B2: 3.57461  Sterimol/B3: 5.77585
  Sterimol/B4: 5.87512  Sterimol/L: 16.1472 
 
 Surface and Volume Properties
  Accessible surface: 528.702  Positive charged surface: 232.084  Negative charged surface: 296.618  Volume: 270.875
  Hydrophobic surface: 348.829  Hydrophilic surface: 179.873
 
 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


MMs02555090
OTAVA-ZINC00387295