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IFLAB-ZINC01791477

 MMsINC code: MMs01986461
Type: Neutral
Formula: C14H17NO3S
SMILES:   S(=O)(=O)(NCCCOC)c1cc2c(cc1)cccc2
InChI:   InChI=1/C14H17NO3S/c1-18-10-4-9-15-19(16,17)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11,15H,4,9-10H2,1H3

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Potential Energy
Epot(MMFF94)=23.5502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.36 g/mol  logS: -3.44515  SlogP: 2.1546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844441  Sterimol/B1: 2.87945  Sterimol/B2: 3.02641  Sterimol/B3: 4.74371
  Sterimol/B4: 7.58838  Sterimol/L: 15.3836 
 
 Surface and Volume Properties
  Accessible surface: 515.12  Positive charged surface: 320.94  Negative charged surface: 184.179  Volume: 260.875
  Hydrophobic surface: 424.52  Hydrophilic surface: 90.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.