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NANOSIN-ZINC01510329

 MMsINC code: MMs02196567
Type: Neutral
Formula: C10H15NO2S
SMILES:   S(=O)(=O)(N)c1c(C)c(cc(C)c1C)C
InChI:   InChI=1/C10H15NO2S/c1-6-5-7(2)9(4)10(8(6)3)14(11,12)13/h5H,1-4H3,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=62.9513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -2.88027  SlogP: 1.56768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116607  Sterimol/B1: 2.9895  Sterimol/B2: 3.13194  Sterimol/B3: 3.50429
  Sterimol/B4: 6.80269  Sterimol/L: 9.6951 
 
 Surface and Volume Properties
  Accessible surface: 391.321  Positive charged surface: 225.428  Negative charged surface: 165.894  Volume: 198.125
  Hydrophobic surface: 283.511  Hydrophilic surface: 107.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.