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PUBCHEM-ZINC02821187

 MMsINC code: MMs02932495
Type: Neutral
Formula: C10H15NO3S
SMILES:   S(=O)(=O)(NCCCO)c1ccc(cc1)C
InChI:   InChI=1/C10H15NO3S/c1-9-3-5-10(6-4-9)15(13,14)11-7-2-8-12/h3-6,11-12H,2,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=5.76394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -1.69601  SlogP: 0.65572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951761  Sterimol/B1: 2.49957  Sterimol/B2: 2.84739  Sterimol/B3: 4.26951
  Sterimol/B4: 6.68899  Sterimol/L: 13.9133 
 
 Surface and Volume Properties
  Accessible surface: 450.103  Positive charged surface: 276.644  Negative charged surface: 173.458  Volume: 212.125
  Hydrophobic surface: 313.769  Hydrophilic surface: 136.334
 
 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.