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PUBCHEM-ZINC02866512

 MMsINC code: MMs02946494
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(O)=O)c2ccccc2C)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-11-4-2-3-5-14(11)17(10-15(18)19)22(20,21)13-8-6-12(16)7-9-13/h2-9H,10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=74.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.0129  SlogP: 2.92832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158917  Sterimol/B1: 2.5297  Sterimol/B2: 4.12949  Sterimol/B3: 5.60344
  Sterimol/B4: 6.56244  Sterimol/L: 13.6432 
 
 Surface and Volume Properties
  Accessible surface: 508.041  Positive charged surface: 236.885  Negative charged surface: 271.156  Volume: 286.5
  Hydrophobic surface: 371.058  Hydrophilic surface: 136.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02946495
PUBCHEM-ZINC02866512