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PUBCHEM-ZINC00616838

 MMsINC code: MMs02713937
Type: Neutral
Formula: C15H25NO3S
SMILES:   S(=O)(=O)(NC(C(C)C)C(C)C)c1cc(C)c(OC)cc1
InChI:   InChI=1/C15H25NO3S/c1-10(2)15(11(3)4)16-20(17,18)13-7-8-14(19-6)12(5)9-13/h7-11,15-16H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.1124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.435 g/mol  logS: -2.89521  SlogP: 2.96252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183882  Sterimol/B1: 2.70338  Sterimol/B2: 3.36586  Sterimol/B3: 5.47379
  Sterimol/B4: 6.13743  Sterimol/L: 14.2811 
 
 Surface and Volume Properties
  Accessible surface: 518.472  Positive charged surface: 348.873  Negative charged surface: 169.599  Volume: 297.75
  Hydrophobic surface: 384.905  Hydrophilic surface: 133.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.