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PUBCHEM-ZINC05456705

 MMsINC code: MMs03275013
Type: Neutral
Formula: C3H9NO2S
SMILES:   S(=O)(=O)(NCC)C
InChI:   InChI=1/C3H9NO2S/c1-3-4-7(2,5)6/h4H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=-15.325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 123.176 g/mol  logS: 0.27379  SlogP: -0.4445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150553  Sterimol/B1: 2.67513  Sterimol/B2: 2.91384  Sterimol/B3: 3.66014
  Sterimol/B4: 3.89276  Sterimol/L: 9.35025 
 
 Surface and Volume Properties
  Accessible surface: 285.934  Positive charged surface: 170.04  Negative charged surface: 115.894  Volume: 108.25
  Hydrophobic surface: 170.2  Hydrophilic surface: 115.734
 
 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.