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ASINEX-ZINC00066528

 MMsINC code: MMs00068162
Type: Neutral
Formula: C14H14FNO4S
SMILES:   S(=O)(=O)(Nc1cc(OC)ccc1OC)c1ccc(F)cc1
InChI:   InChI=1/C14H14FNO4S/c1-19-11-5-8-14(20-2)13(9-11)16-21(17,18)12-6-3-10(15)4-7-12/h3-9,16H,1-2H3

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Potential Energy
Epot(MMFF94)=65.8409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.333 g/mol  logS: -3.44246  SlogP: 2.6437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264895  Sterimol/B1: 2.51879  Sterimol/B2: 4.23461  Sterimol/B3: 4.80402
  Sterimol/B4: 8.81319  Sterimol/L: 12.3526 
 
 Surface and Volume Properties
  Accessible surface: 502.831  Positive charged surface: 306.932  Negative charged surface: 195.898  Volume: 265.25
  Hydrophobic surface: 411.386  Hydrophilic surface: 91.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.