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PUBCHEM-ZINC04841988

 MMsINC code: MMs03178182
Type: Neutral
Formula: C14H13NO4S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C(OCc1ccccc1)=O
InChI:   InChI=1/C14H13NO4S/c15-20(17,18)13-8-6-12(7-9-13)14(16)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=32.8763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.327 g/mol  logS: -3.76112  SlogP: 1.9574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610868  Sterimol/B1: 2.4777  Sterimol/B2: 3.57444  Sterimol/B3: 3.77592
  Sterimol/B4: 5.9249  Sterimol/L: 15.9428 
 
 Surface and Volume Properties
  Accessible surface: 521.104  Positive charged surface: 266.468  Negative charged surface: 254.636  Volume: 257
  Hydrophobic surface: 346.422  Hydrophilic surface: 174.682
 
 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


MMs03178183
PUBCHEM-ZINC04841988