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AURORAFEINCHEMIE-ZINC03264108

 MMsINC code: MMs00455829
Type: Neutral
Formula: C19H18FNO5S
SMILES:   S(=O)(=O)(N1CCCC1C(OCC(=O)c1ccccc1)=O)c1ccccc1F
InChI:   InChI=1/C19H18FNO5S/c20-15-9-4-5-11-18(15)27(24,25)21-12-6-10-16(21)19(23)26-13-17(22)14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=65.7429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.419 g/mol  logS: -4.65322  SlogP: 2.4049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726504  Sterimol/B1: 4.03707  Sterimol/B2: 4.21846  Sterimol/B3: 5.12555
  Sterimol/B4: 6.27201  Sterimol/L: 18.1818 
 
 Surface and Volume Properties
  Accessible surface: 623.98  Positive charged surface: 340.912  Negative charged surface: 283.068  Volume: 338.75
  Hydrophobic surface: 515.15  Hydrophilic surface: 108.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.