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ASINEX-ZINC00369682

 MMsINC code: MMs00125387
Type: Neutral
Formula: C12H10N2O5S
SMILES:   S(=O)(=O)(Nc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C12H10N2O5S/c15-11-5-1-9(2-6-11)13-20(18,19)12-7-3-10(4-8-12)14(16)17/h1-8,13,15H

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Potential Energy
Epot(MMFF94)=55.123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.287 g/mol  logS: -3.475  SlogP: 2.1012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191952  Sterimol/B1: 2.43438  Sterimol/B2: 5.09936  Sterimol/B3: 5.12708
  Sterimol/B4: 5.29164  Sterimol/L: 13.1597 
 
 Surface and Volume Properties
  Accessible surface: 469.11  Positive charged surface: 208.639  Negative charged surface: 260.471  Volume: 236.875
  Hydrophobic surface: 255.17  Hydrophilic surface: 213.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.