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AURORAFEINCHEMIE-ZINC02573399

 MMsINC code: MMs00454973
Type: Neutral
Formula: C10H13NO2S
SMILES:   S(=O)(=O)(N1CC1(C)C)c1ccccc1
InChI:   InChI=1/C10H13NO2S/c1-10(2)8-11(10)14(12,13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

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Potential Energy
Epot(MMFF94)=82.3945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.285 g/mol  logS: -2.1017  SlogP: 1.4695  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.164341  Sterimol/B1: 3.59184  Sterimol/B2: 3.75079  Sterimol/B3: 3.92407
  Sterimol/B4: 4.56473  Sterimol/L: 11.9548 
 
 Surface and Volume Properties
  Accessible surface: 413.983  Positive charged surface: 235.697  Negative charged surface: 178.287  Volume: 199.625
  Hydrophobic surface: 353.24  Hydrophilic surface: 60.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.