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ASINEX-ZINC01379213

 MMsINC code: MMs00251937
Type: Neutral
Formula: C18H19FN2O4S
SMILES:   S(=O)(=O)(N1CCCC1C(=O)Nc1cc(OC)ccc1)c1ccc(F)cc1
InChI:   InChI=1/C18H19FN2O4S/c1-25-15-5-2-4-14(12-15)20-18(22)17-6-3-11-21(17)26(23,24)16-9-7-13(19)8-10-16/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,20,22)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=89.4366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.424 g/mol  logS: -4.19261  SlogP: 2.6261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0755826  Sterimol/B1: 3.27739  Sterimol/B2: 4.43485  Sterimol/B3: 4.50978
  Sterimol/B4: 7.40515  Sterimol/L: 15.6618 
 
 Surface and Volume Properties
  Accessible surface: 599.542  Positive charged surface: 364.633  Negative charged surface: 234.909  Volume: 330.125
  Hydrophobic surface: 519.033  Hydrophilic surface: 80.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.