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MAYBRIDGE-ZINC00142063

 MMsINC code: MMs02139762
Type: Neutral
Formula: C11H13NO2S
SMILES:   S1CC(OC(=O)Nc2ccccc2)CC1
InChI:   InChI=1/C11H13NO2S/c13-11(14-10-6-7-15-8-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=37.2046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.296 g/mol  logS: -3.00628  SlogP: 2.7406  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344213  Sterimol/B1: 2.94563  Sterimol/B2: 3.2618  Sterimol/B3: 3.44993
  Sterimol/B4: 4.34588  Sterimol/L: 14.5853 
 
 Surface and Volume Properties
  Accessible surface: 437.605  Positive charged surface: 277.58  Negative charged surface: 160.025  Volume: 208.75
  Hydrophobic surface: 336.055  Hydrophilic surface: 101.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.