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PUBCHEM-ZINC00582503

 MMsINC code: MMs02710052
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(O)=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-11-2-6-13(7-3-11)17(10-15(18)19)22(20,21)14-8-4-12(16)5-9-14/h2-9H,10H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=58.8301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.32635  SlogP: 2.92832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136439  Sterimol/B1: 3.3024  Sterimol/B2: 3.3032  Sterimol/B3: 4.46983
  Sterimol/B4: 8.53497  Sterimol/L: 14.4908 
 
 Surface and Volume Properties
  Accessible surface: 540.298  Positive charged surface: 258.075  Negative charged surface: 282.223  Volume: 290.375
  Hydrophobic surface: 401.559  Hydrophilic surface: 138.739
 
 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


MMs02710053
PUBCHEM-ZINC00582503