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OTAVA-ZINC05610715

 MMsINC code: MMs02604797
Type: Neutral
Formula: C13H11ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-]
InChI:   InChI=1/C13H11ClN2O4S/c14-12-7-6-11(8-13(12)16(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2

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Potential Energy
Epot(MMFF94)=40.8861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.76 g/mol  logS: -4.51528  SlogP: 2.9931  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143869  Sterimol/B1: 3.47903  Sterimol/B2: 4.34855  Sterimol/B3: 5.18495
  Sterimol/B4: 5.26567  Sterimol/L: 15.2229 
 
 Surface and Volume Properties
  Accessible surface: 519.084  Positive charged surface: 199.942  Negative charged surface: 319.142  Volume: 261.125
  Hydrophobic surface: 363.506  Hydrophilic surface: 155.578
 
 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.