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ASINEX-ZINC04891146

 MMsINC code: MMs00395794
Type: Neutral
Formula: C15H21FN2O3S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)NCCCC)c1ccc(F)cc1
InChI:   InChI=1/C15H21FN2O3S/c1-2-3-10-17-15(19)14-5-4-11-18(14)22(20,21)13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=45.3137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.408 g/mol  logS: -3.36257  SlogP: 1.8951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07959  Sterimol/B1: 3.07649  Sterimol/B2: 4.35303  Sterimol/B3: 4.66945
  Sterimol/B4: 7.12329  Sterimol/L: 16.1856 
 
 Surface and Volume Properties
  Accessible surface: 569.491  Positive charged surface: 363.663  Negative charged surface: 205.828  Volume: 296.625
  Hydrophobic surface: 473.697  Hydrophilic surface: 95.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.