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PUBCHEM-ZINC00410894

 MMsINC code: MMs02678395
Type: Neutral
Formula: C14H16N2O2S
SMILES:   S(CC(=O)N)c1nc2cc(OC)ccc2cc1CC
InChI:   InChI=1/C14H16N2O2S/c1-3-9-6-10-4-5-11(18-2)7-12(10)16-14(9)19-8-13(15)17/h4-7H,3,8H2,1-2H3,(H2,15,17)

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Potential Energy
Epot(MMFF94)=57.3135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.36 g/mol  logS: -4.31071  SlogP: 2.38317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301411  Sterimol/B1: 2.07135  Sterimol/B2: 2.26155  Sterimol/B3: 3.45607
  Sterimol/B4: 8.90419  Sterimol/L: 14.5916 
 
 Surface and Volume Properties
  Accessible surface: 511.711  Positive charged surface: 344.762  Negative charged surface: 161.272  Volume: 260.75
  Hydrophobic surface: 331.401  Hydrophilic surface: 180.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.