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PUBCHEM-ZINC00363936

 MMsINC code: MMs02663383
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OC)=O)c1ccccc1C
InChI:   InChI=1/C15H15NO4S/c1-11-7-3-6-10-14(11)21(18,19)16-13-9-5-4-8-12(13)15(17)20-2/h3-10,16H,1-2H3

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Potential Energy
Epot(MMFF94)=71.2739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.58892  SlogP: 2.58242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965297  Sterimol/B1: 2.39434  Sterimol/B2: 2.57229  Sterimol/B3: 5.30918
  Sterimol/B4: 7.85016  Sterimol/L: 14.9021 
 
 Surface and Volume Properties
  Accessible surface: 509.062  Positive charged surface: 295.049  Negative charged surface: 214.014  Volume: 272.875
  Hydrophobic surface: 413.462  Hydrophilic surface: 95.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.