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LOPAC-ZINC03995571

 MMsINC code: MMs02126134
Type: Neutral
Formula: C2H7NO2S
SMILES:   S(O)(=O)CCN
InChI:   InChI=1/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.27461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 109.149 g/mol  logS: 0.54807  SlogP: -1.3989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964601  Sterimol/B1: 2.48551  Sterimol/B2: 2.66838  Sterimol/B3: 2.8083
  Sterimol/B4: 3.19758  Sterimol/L: 9.38867 
 
 Surface and Volume Properties
  Accessible surface: 265.401  Positive charged surface: 195.646  Negative charged surface: 69.755  Volume: 89.875
  Hydrophobic surface: 84.3782  Hydrophilic surface: 181.0228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.