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PUBCHEM-ZINC03797414

 MMsINC code: MMs03076469
Type: Neutral
Formula: C17H17F3N2O5
SMILES:   FC(F)(F)C1=CN(C2OC(CO)C(OCc3ccccc3)C2)C(=O)NC1=O
InChI:   InChI=1/C17H17F3N2O5/c18-17(19,20)11-7-22(16(25)21-15(11)24)14-6-12(13(8-23)27-14)26-9-10-4-2-1-3-5-10/h1-5,7,12-14,23H,6,8-9H2,(H,21,24,25)/t12-,13+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=40.4627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.326 g/mol  logS: -3.48162  SlogP: 2.3634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671352  Sterimol/B1: 2.95254  Sterimol/B2: 3.34664  Sterimol/B3: 3.96014
  Sterimol/B4: 8.18599  Sterimol/L: 16.9476 
 
 Surface and Volume Properties
  Accessible surface: 609.175  Positive charged surface: 318.642  Negative charged surface: 290.533  Volume: 315.875
  Hydrophobic surface: 334.302  Hydrophilic surface: 274.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.