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OTAVA-ZINC04980334

 MMsINC code: MMs02586315
Type: Neutral
Formula: C16H10Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1c2c(ccc1)c([N+](=O)[O-])ccc2
InChI:   InChI=1/C16H10Cl2N2O4S/c17-10-7-8-13(18)16(9-10)25(23,24)19-14-5-1-4-12-11(14)3-2-6-15(12)20(21)22/h1-9,19H

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Potential Energy
Epot(MMFF94)=86.9286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.238 g/mol  logS: -7.18341  SlogP: 4.8556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799415  Sterimol/B1: 2.86215  Sterimol/B2: 4.07919  Sterimol/B3: 4.15185
  Sterimol/B4: 6.73266  Sterimol/L: 14.5918 
 
 Surface and Volume Properties
  Accessible surface: 547.745  Positive charged surface: 160.794  Negative charged surface: 375.404  Volume: 306.75
  Hydrophobic surface: 405.718  Hydrophilic surface: 142.027
 
 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.