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PUBCHEM-ZINC01905250

 MMsINC code: MMs02829142
Type: Neutral
Formula: C14H16N2O3S2
SMILES:   S(C=1N(COCCO)C(=S)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C14H16N2O3S2/c1-10-12(18)15-14(20)16(9-19-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,20)

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Potential Energy
Epot(MMFF94)=50.486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.425 g/mol  logS: -4.61201  SlogP: 1.6933  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259637  Sterimol/B1: 2.32627  Sterimol/B2: 3.34488  Sterimol/B3: 7.38371
  Sterimol/B4: 7.43393  Sterimol/L: 13.6114 
 
 Surface and Volume Properties
  Accessible surface: 525.991  Positive charged surface: 301.926  Negative charged surface: 224.065  Volume: 288.5
  Hydrophobic surface: 321.003  Hydrophilic surface: 204.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.