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PUBCHEM-ZINC00771823

 MMsINC code: MMs02737965
Type: Neutral
Formula: C14H11F3N2O4S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)Cc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C14H11F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)18-24(22,23)9-10-4-6-13(7-5-10)19(20)21/h1-8,18H,9H2

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Potential Energy
Epot(MMFF94)=76.6954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.312 g/mol  logS: -4.83754  SlogP: 4.1334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907094  Sterimol/B1: 2.48499  Sterimol/B2: 3.10522  Sterimol/B3: 5.23954
  Sterimol/B4: 5.65785  Sterimol/L: 15.7693 
 
 Surface and Volume Properties
  Accessible surface: 529.052  Positive charged surface: 195.492  Negative charged surface: 333.56  Volume: 275.5
  Hydrophobic surface: 268.799  Hydrophilic surface: 260.253
 
 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.