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CHEMBRIDGE-ZINC01054883

 MMsINC code: MMs00654285
Type: Neutral
Formula: C15H16N2O2S
SMILES:   s1ccc(C(=O)N)c1NC(=O)C(CC)c1ccccc1
InChI:   InChI=1/C15H16N2O2S/c1-2-11(10-6-4-3-5-7-10)14(19)17-15-12(13(16)18)8-9-20-15/h3-9,11H,2H2,1H3,(H2,16,18)(H,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=58.4506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.371 g/mol  logS: -4.35046  SlogP: 2.9793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669767  Sterimol/B1: 2.13928  Sterimol/B2: 2.64824  Sterimol/B3: 4.30382
  Sterimol/B4: 7.78512  Sterimol/L: 14.6166 
 
 Surface and Volume Properties
  Accessible surface: 512.257  Positive charged surface: 288.784  Negative charged surface: 223.473  Volume: 271.125
  Hydrophobic surface: 371.202  Hydrophilic surface: 141.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.