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PUBCHEM-ZINC02184161

 MMsINC code: MMs02882927
Type: Neutral
Formula: C11H15NO3S
SMILES:   S1(=O)(=O)N(CCCC)C(O)c2c1cccc2
InChI:   InChI=1/C11H15NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7,11,13H,2-3,8H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=13.5015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -2.14323  SlogP: 1.5774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745003  Sterimol/B1: 2.28009  Sterimol/B2: 3.59724  Sterimol/B3: 4.3283
  Sterimol/B4: 4.61043  Sterimol/L: 14.3898 
 
 Surface and Volume Properties
  Accessible surface: 443.554  Positive charged surface: 262.207  Negative charged surface: 181.348  Volume: 218.625
  Hydrophobic surface: 322.33  Hydrophilic surface: 121.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.