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CHEMBRIDGE-ZINC02767823

 MMsINC code: MMs00715935
Type: Neutral
Formula: C13H13F4NO4
SMILES:   Fc1cc(NC(=O)CC(O)(C(OC)=O)C(F)(F)F)ccc1C
InChI:   InChI=1/C13H13F4NO4/c1-7-3-4-8(5-9(7)14)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=61.6621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.242 g/mol  logS: -3.21296  SlogP: 2.34902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.079561  Sterimol/B1: 3.35706  Sterimol/B2: 3.47749  Sterimol/B3: 4.38174
  Sterimol/B4: 4.93671  Sterimol/L: 14.6128 
 
 Surface and Volume Properties
  Accessible surface: 520.179  Positive charged surface: 276.299  Negative charged surface: 243.88  Volume: 253.125
  Hydrophobic surface: 345.976  Hydrophilic surface: 174.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.