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IFLAB-ZINC00463031

 MMsINC code: MMs01978976
Type: Neutral
Formula: C11H15NO3S
SMILES:   S(=O)(=O)(N1CCCC1)c1cc(OC)ccc1
InChI:   InChI=1/C11H15NO3S/c1-15-10-5-4-6-11(9-10)16(13,14)12-7-2-3-8-12/h4-6,9H,2-3,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=29.3167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.311 g/mol  logS: -1.9012  SlogP: 1.4797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134202  Sterimol/B1: 2.41535  Sterimol/B2: 3.24104  Sterimol/B3: 4.93625
  Sterimol/B4: 5.56482  Sterimol/L: 12.7625 
 
 Surface and Volume Properties
  Accessible surface: 445.007  Positive charged surface: 302.509  Negative charged surface: 142.498  Volume: 221.875
  Hydrophobic surface: 375.079  Hydrophilic surface: 69.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.