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IFLAB-ZINC05240809

 MMsINC code: MMs02080873
Type: Neutral
Formula: C15H16N2O2S2
SMILES:   s1ccc(C(=O)NC)c1NC(=O)c1ccccc1SCC
InChI:   InChI=1/C15H16N2O2S2/c1-3-20-12-7-5-4-6-10(12)14(19)17-15-11(8-9-21-15)13(18)16-2/h4-9H,3H2,1-2H3,(H,16,18)(H,17,19)

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Potential Energy
Epot(MMFF94)=71.4669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.437 g/mol  logS: -4.81462  SlogP: 3.472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00758849  Sterimol/B1: 2.37725  Sterimol/B2: 2.37827  Sterimol/B3: 3.89026
  Sterimol/B4: 7.76277  Sterimol/L: 16.9742 
 
 Surface and Volume Properties
  Accessible surface: 552.181  Positive charged surface: 332.823  Negative charged surface: 219.358  Volume: 292.875
  Hydrophobic surface: 445.984  Hydrophilic surface: 106.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.