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NCID-ZINC01556291

 MMsINC code: MMs02219782
Type: Neutral
Formula: C14H15NO4S2
SMILES:   S(=O)(=O)(C)c1ccc(NS(=O)(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C14H15NO4S2/c1-11-3-7-14(8-4-11)21(18,19)15-12-5-9-13(10-6-12)20(2,16)17/h3-10,15H,1-2H3

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Potential Energy
Epot(MMFF94)=43.9598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.409 g/mol  logS: -3.66133  SlogP: 2.19932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107118  Sterimol/B1: 2.298  Sterimol/B2: 3.50216  Sterimol/B3: 3.57165
  Sterimol/B4: 7.96726  Sterimol/L: 14.6403 
 
 Surface and Volume Properties
  Accessible surface: 523.317  Positive charged surface: 263.583  Negative charged surface: 259.734  Volume: 277.75
  Hydrophobic surface: 375.569  Hydrophilic surface: 147.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.