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CHEMDIV-ZINC00248892

 MMsINC code: MMs00846117
Type: Neutral
Formula: C16H18FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C16H18FNO2S/c1-12(2)11-13-7-9-14(10-8-13)21(19,20)18-16-6-4-3-5-15(16)17/h3-10,12,18H,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.3199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.389 g/mol  logS: -5.36128  SlogP: 3.82497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100843  Sterimol/B1: 3.30915  Sterimol/B2: 3.99438  Sterimol/B3: 4.00173
  Sterimol/B4: 6.81324  Sterimol/L: 14.1565 
 
 Surface and Volume Properties
  Accessible surface: 527.48  Positive charged surface: 290.224  Negative charged surface: 237.256  Volume: 283.125
  Hydrophobic surface: 408.119  Hydrophilic surface: 119.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.