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ACROSORGANICS-ZINC02585523

 MMsINC code: MMs00014901
Type: Neutral
Formula: C3H9NO3S
SMILES:   S(O)(=O)(=O)CC(N)C
InChI:   InChI=1/C3H9NO3S/c1-3(4)2-8(5,6)7/h3H,2,4H2,1H3,(H,5,6,7)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.75522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.175 g/mol  logS: 0.37034  SlogP: -1.3443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15624  Sterimol/B1: 2.52588  Sterimol/B2: 2.86417  Sterimol/B3: 3.44995
  Sterimol/B4: 4.15011  Sterimol/L: 9.65104 
 
 Surface and Volume Properties
  Accessible surface: 293.452  Positive charged surface: 173.606  Negative charged surface: 119.847  Volume: 112.875
  Hydrophobic surface: 102.929  Hydrophilic surface: 190.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.