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ENAMINE-ZINC03368769

 MMsINC code: MMs01400408
Type: Ionized
Formula: C15H15N2O4S2-
SMILES:   S(=O)([O-])(=[NH])c1ccc(cc1)CNS(=O)(=O)\C=C\c1ccccc1
InChI:   InChI=1/C15H15N2O4S2/c16-23(20,21)15-8-6-14(7-9-15)12-17-22(18,19)11-10-13-4-2-1-3-5-13/h1-11,17H,12H2,(H-,16,20,21)/q-1/b11-10+

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Potential Energy
Epot(MMFF94)=18.4377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.427 g/mol  logS: -3.45837  SlogP: 2.0149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770535  Sterimol/B1: 2.83173  Sterimol/B2: 3.5194  Sterimol/B3: 4.14696
  Sterimol/B4: 7.94446  Sterimol/L: 16.06 
 
 Surface and Volume Properties
  Accessible surface: 576.76  Positive charged surface: 250.823  Negative charged surface: 325.937  Volume: 299.625
  Hydrophobic surface: 380.872  Hydrophilic surface: 195.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs01400407
ENAMINE-ZINC03368769