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ASINEX-ZINC00304396

 MMsINC code: MMs00114685
Type: Neutral
Formula: C15H15FN2O4S
SMILES:   S(=O)(=O)(Nc1cc([N+](=O)[O-])c(F)cc1)c1c(cc(cc1C)C)C
InChI:   InChI=1/C15H15FN2O4S/c1-9-6-10(2)15(11(3)7-9)23(21,22)17-12-4-5-13(16)14(8-12)18(19)20/h4-8,17H,1-3H3

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Potential Energy
Epot(MMFF94)=75.3018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.359 g/mol  logS: -4.92679  SlogP: 3.45996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.327351  Sterimol/B1: 2.66669  Sterimol/B2: 4.34715  Sterimol/B3: 5.0977
  Sterimol/B4: 7.71337  Sterimol/L: 12.1613 
 
 Surface and Volume Properties
  Accessible surface: 509.654  Positive charged surface: 248.29  Negative charged surface: 261.364  Volume: 283.25
  Hydrophobic surface: 365.242  Hydrophilic surface: 144.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.