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ENAMINE-ZINC03885939

 MMsINC code: MMs01527590
Type: Neutral
Formula: C13H9ClF2N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-]
InChI:   InChI=1/C13H9ClF2N2O4S2/c14-11-6-5-10(7-12(11)18(19)20)24(21,22)17-8-1-3-9(4-2-8)23-13(15)16/h1-7,13,17H

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Potential Energy
Epot(MMFF94)=66.5935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.806 g/mol  logS: -5.67651  SlogP: 4.7836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16207  Sterimol/B1: 2.91371  Sterimol/B2: 3.38537  Sterimol/B3: 5.88554
  Sterimol/B4: 6.82967  Sterimol/L: 14.717 
 
 Surface and Volume Properties
  Accessible surface: 536.573  Positive charged surface: 178.579  Negative charged surface: 357.993  Volume: 286.5
  Hydrophobic surface: 272.22  Hydrophilic surface: 264.353
 
 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.