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ENAMINE-ZINC01230710

 MMsINC code: MMs01239249
Type: Neutral
Formula: C15H15ClN2O4S
SMILES:   Clc1ccc(NS(=O)(=O)c2c(cc(cc2C)C)C)cc1[N+](=O)[O-]
InChI:   InChI=1/C15H15ClN2O4S/c1-9-6-10(2)15(11(3)7-9)23(21,22)17-12-4-5-13(16)14(8-12)18(19)20/h4-8,17H,1-3H3

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Potential Energy
Epot(MMFF94)=86.9587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.814 g/mol  logS: -5.3661  SlogP: 3.97426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.324678  Sterimol/B1: 2.55335  Sterimol/B2: 4.35015  Sterimol/B3: 5.10278
  Sterimol/B4: 7.75782  Sterimol/L: 12.8953 
 
 Surface and Volume Properties
  Accessible surface: 521.798  Positive charged surface: 238.832  Negative charged surface: 282.966  Volume: 292.5
  Hydrophobic surface: 384.315  Hydrophilic surface: 137.483
 
 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.