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MAYBRIDGE-ZINC00120238

 MMsINC code: MMs02135132
Type: Neutral
Formula: C13H8ClF2NO4S
SMILES:   Clc1cc([N+](=O)[O-])ccc1CS(=O)(=O)c1ccc(F)cc1F
InChI:   InChI=1/C13H8ClF2NO4S/c14-11-6-10(17(18)19)3-1-8(11)7-22(20,21)13-4-2-9(15)5-12(13)16/h1-6H,7H2

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Potential Energy
Epot(MMFF94)=59.9605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.725 g/mol  logS: -5.40795  SlogP: 3.7667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328624  Sterimol/B1: 2.48327  Sterimol/B2: 2.5278  Sterimol/B3: 4.00687
  Sterimol/B4: 5.93703  Sterimol/L: 16.1604 
 
 Surface and Volume Properties
  Accessible surface: 489.669  Positive charged surface: 167.17  Negative charged surface: 322.499  Volume: 257.375
  Hydrophobic surface: 359.105  Hydrophilic surface: 130.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.