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PUBCHEM-ZINC02872408

 MMsINC code: MMs02949317
Type: Neutral
Formula: C15H16N2O4S2
SMILES:   S(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O4S2/c1-12-2-6-14(7-3-12)22-11-10-16-23(20,21)15-8-4-13(5-9-15)17(18)19/h2-9,16H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=53.4117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -5.30275  SlogP: 2.97382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514893  Sterimol/B1: 3.13009  Sterimol/B2: 4.78511  Sterimol/B3: 4.95654
  Sterimol/B4: 5.25051  Sterimol/L: 18.4224 
 
 Surface and Volume Properties
  Accessible surface: 589.515  Positive charged surface: 266.266  Negative charged surface: 323.248  Volume: 300.875
  Hydrophobic surface: 389.968  Hydrophilic surface: 199.547
 
 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.