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ENAMINE-ZINC05936589

 MMsINC code: MMs01645905
Type: Neutral
Formula: C20H20N2O2S
SMILES:   s1cccc1CNC(=O)CN(C(=O)c1cc2c(cc1)cccc2)CC
InChI:   InChI=1/C20H20N2O2S/c1-2-22(14-19(23)21-13-18-8-5-11-25-18)20(24)17-10-9-15-6-3-4-7-16(15)12-17/h3-12H,2,13-14H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=84.2422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.458 g/mol  logS: -5.37725  SlogP: 3.9462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657738  Sterimol/B1: 2.33935  Sterimol/B2: 2.52031  Sterimol/B3: 4.28901
  Sterimol/B4: 10.9147  Sterimol/L: 16.1571 
 
 Surface and Volume Properties
  Accessible surface: 610.628  Positive charged surface: 330.597  Negative charged surface: 270.438  Volume: 340.75
  Hydrophobic surface: 515.36  Hydrophilic surface: 95.268
 
 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.