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PUBCHEM-ZINC06046682

 MMsINC code: MMs03512964
Type: Neutral
Formula: C4H11NO2S
SMILES:   S(=O)(=O)(NCC)CC
InChI:   InChI=1/C4H11NO2S/c1-3-5-8(6,7)4-2/h5H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=-18.8017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.203 g/mol  logS: -0.05342  SlogP: -0.0544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103491  Sterimol/B1: 2.6196  Sterimol/B2: 2.86932  Sterimol/B3: 3.59629
  Sterimol/B4: 4.21827  Sterimol/L: 10.2854 
 
 Surface and Volume Properties
  Accessible surface: 313.722  Positive charged surface: 199.407  Negative charged surface: 114.315  Volume: 125.5
  Hydrophobic surface: 184.05  Hydrophilic surface: 129.672
 
 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.