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MDPI-ZINC03849031

 MMsINC code: MMs02182175
Type: Neutral
Formula: C19H21F6NO7
SMILES:   FC(F)(F)C1(O)NC(O)(C(F)(F)F)C(C(OCC)=O)C(C1C(OCC)=O)c1ccccc1
O
InChI:   InChI=1/C19H21F6NO7/c1-3-32-14(28)12-11(9-7-5-6-8-10(9)27)13(15(29)33-4-2)17(31,19(23,24)25)26-16(12,30)18(20,21)22/h5-8,11-13,26-27,30-31H,3-4H2,1-2H3/t11-,12-,13+,16-,17+

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Potential Energy
Epot(MMFF94)=549.493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 489.365 g/mol  logS: -3.70484  SlogP: 2.7792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314419  Sterimol/B1: 2.32301  Sterimol/B2: 2.80179  Sterimol/B3: 7.56123
  Sterimol/B4: 8.25278  Sterimol/L: 15.6709 
 
 Surface and Volume Properties
  Accessible surface: 622.874  Positive charged surface: 341.95  Negative charged surface: 280.924  Volume: 363.625
  Hydrophobic surface: 328.08  Hydrophilic surface: 294.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.