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PUBCHEM-ZINC06416359

 MMsINC code: MMs03717448
Type: Neutral
Formula: C18H12ClFN2O4S
SMILES:   Clc1cc(S(=O)(=O)Nc2ccc(cc2[N+](=O)[O-])-c2ccccc2)ccc1F
InChI:   InChI=1/C18H12ClFN2O4S/c19-15-11-14(7-8-16(15)20)27(25,26)21-17-9-6-13(10-18(17)22(23)24)12-4-2-1-3-5-12/h1-11,21H

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Potential Energy
Epot(MMFF94)=93.5774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.821 g/mol  logS: -7.2926  SlogP: 4.8551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157398  Sterimol/B1: 3.57447  Sterimol/B2: 5.00442  Sterimol/B3: 5.15734
  Sterimol/B4: 6.15647  Sterimol/L: 14.9147 
 
 Surface and Volume Properties
  Accessible surface: 573.744  Positive charged surface: 198.493  Negative charged surface: 365.844  Volume: 324.875
  Hydrophobic surface: 433.001  Hydrophilic surface: 140.743
 
 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.