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ASINEX-ZINC00319101

 MMsINC code: MMs00117819
Type: Neutral
Formula: C10H15NO3S
SMILES:   S(=O)(=O)(NCC(O)C)c1ccc(cc1)C
InChI:   InChI=1/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=15.3967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -1.82145  SlogP: 0.65412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098834  Sterimol/B1: 2.70873  Sterimol/B2: 2.89963  Sterimol/B3: 4.21469
  Sterimol/B4: 6.28685  Sterimol/L: 13.2244 
 
 Surface and Volume Properties
  Accessible surface: 444.971  Positive charged surface: 256.869  Negative charged surface: 188.102  Volume: 211.875
  Hydrophobic surface: 297.796  Hydrophilic surface: 147.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.