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PUBCHEM-ZINC05380550

 MMsINC code: MMs03252588
Type: Neutral
Formula: C5H13NO2S
SMILES:   S(=O)(=O)(NCC(C)C)C
InChI:   InChI=1/C5H13NO2S/c1-5(2)4-6-9(3,7)8/h5-6H,4H2,1-3H3

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Potential Energy
Epot(MMFF94)=-9.88001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.23 g/mol  logS: -0.12975  SlogP: 0.1916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167439  Sterimol/B1: 2.24771  Sterimol/B2: 2.54703  Sterimol/B3: 3.83072
  Sterimol/B4: 4.74335  Sterimol/L: 10.6074 
 
 Surface and Volume Properties
  Accessible surface: 337.955  Positive charged surface: 205.386  Negative charged surface: 132.569  Volume: 143.5
  Hydrophobic surface: 211.397  Hydrophilic surface: 126.558
 
 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.