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ASINEX-ZINC00472513

 MMsINC code: MMs00136592
Type: Neutral
Formula: C13H17FN2O3S
SMILES:   S(=O)(=O)(N(CC(=O)N1CCCC1)C)c1ccc(F)cc1
InChI:   InChI=1/C13H17FN2O3S/c1-15(10-13(17)16-8-2-3-9-16)20(18,19)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3

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Potential Energy
Epot(MMFF94)=41.4051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.354 g/mol  logS: -2.21238  SlogP: 1.0686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071043  Sterimol/B1: 2.29944  Sterimol/B2: 2.32268  Sterimol/B3: 4.89902
  Sterimol/B4: 7.14077  Sterimol/L: 15.2227 
 
 Surface and Volume Properties
  Accessible surface: 514.098  Positive charged surface: 325.132  Negative charged surface: 188.966  Volume: 267
  Hydrophobic surface: 435.426  Hydrophilic surface: 78.672
 
 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.