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PUBCHEM-ZINC03020570

 MMsINC code: MMs02981103
Type: Neutral
Formula: C19H12ClFN2O5S
SMILES:   Clc1ccccc1S(=O)(=O)c1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1F
InChI:   InChI=1/C19H12ClFN2O5S/c20-13-5-1-4-8-17(13)29(27,28)18-10-9-12(11-16(18)23(25)26)19(24)22-15-7-3-2-6-14(15)21/h1-11H,(H,22,24)

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Potential Energy
Epot(MMFF94)=119.431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.831 g/mol  logS: -7.13892  SlogP: 4.4724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757312  Sterimol/B1: 2.54461  Sterimol/B2: 4.39655  Sterimol/B3: 4.91534
  Sterimol/B4: 6.36298  Sterimol/L: 17.9203 
 
 Surface and Volume Properties
  Accessible surface: 593.997  Positive charged surface: 240.037  Negative charged surface: 353.96  Volume: 341.5
  Hydrophobic surface: 456.055  Hydrophilic surface: 137.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.