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NCID-ZINC01664067

 MMsINC code: MMs02300374
Type: Neutral
Formula: C14H23NO2S
SMILES:   S(=O)(=O)(N)c1c(C)c(CCCC)c(C)c(C)c1C
InChI:   InChI=1/C14H23NO2S/c1-6-7-8-13-10(3)9(2)11(4)14(12(13)5)18(15,16)17/h6-8H2,1-5H3,(H2,15,16,17)

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Potential Energy
Epot(MMFF94)=76.1273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.409 g/mol  logS: -4.89985  SlogP: 2.91025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963109  Sterimol/B1: 2.34241  Sterimol/B2: 4.28317  Sterimol/B3: 4.6438
  Sterimol/B4: 5.58416  Sterimol/L: 13.403 
 
 Surface and Volume Properties
  Accessible surface: 491.069  Positive charged surface: 302.329  Negative charged surface: 188.74  Volume: 266.5
  Hydrophobic surface: 360.676  Hydrophilic surface: 130.393
 
 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.