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ACROSORGANICS-ZINC03809490

 MMsINC code: MMs00015106
Type: Neutral
Formula: C2H7NO3S
SMILES:   S(O)(=O)(=O)CCN
InChI:   InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

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Potential Energy
Epot(MMFF94)=-11.0891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.148 g/mol  logS: 0.69755  SlogP: -1.7328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120044  Sterimol/B1: 2.63864  Sterimol/B2: 2.75972  Sterimol/B3: 3.26353
  Sterimol/B4: 3.28128  Sterimol/L: 9.36993 
 
 Surface and Volume Properties
  Accessible surface: 270.015  Positive charged surface: 162.023  Negative charged surface: 107.991  Volume: 94.125
  Hydrophobic surface: 80.8735  Hydrophilic surface: 189.1415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.