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ENAMINE-ZINC02665106

 MMsINC code: MMs01284745
Type: Neutral
Formula: C19H20Cl2FN3O5S
SMILES:   Clc1cc(Cl)c(nc1C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)c(F)cc1
InChI:   InChI=1/C19H20Cl2FN3O5S/c1-4-25(5-2)31(28,29)16-8-12(6-7-15(16)22)19(27)30-10-17(26)24-18-14(21)9-13(20)11(3)23-18/h6-9H,4-5,10H2,1-3H3,(H,23,24,26)

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Potential Energy
Epot(MMFF94)=69.1562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.355 g/mol  logS: -5.46109  SlogP: 3.66192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276814  Sterimol/B1: 2.482  Sterimol/B2: 2.50608  Sterimol/B3: 5.29616
  Sterimol/B4: 7.49827  Sterimol/L: 21.5723 
 
 Surface and Volume Properties
  Accessible surface: 730.393  Positive charged surface: 373.806  Negative charged surface: 356.587  Volume: 404.625
  Hydrophobic surface: 546.998  Hydrophilic surface: 183.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.