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PUBCHEM-ZINC04680308

 MMsINC code: MMs03154742
Type: Ionized
Formula: C10H9FNO4-
SMILES:   Fc1ccc(NC(=O)COCC(=O)[O-])cc1
InChI:   InChI=1/C10H10FNO4/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=59.3045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.183 g/mol  logS: -2.28088  SlogP: -0.4693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174653  Sterimol/B1: 2.73387  Sterimol/B2: 2.94643  Sterimol/B3: 2.96154
  Sterimol/B4: 4.89133  Sterimol/L: 15.1997 
 
 Surface and Volume Properties
  Accessible surface: 429.98  Positive charged surface: 216.266  Negative charged surface: 213.713  Volume: 193.5
  Hydrophobic surface: 271.068  Hydrophilic surface: 158.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs03154741
PUBCHEM-ZINC04680308