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ENAMINE-ZINC00114059

 MMsINC code: MMs01224323
Type: Neutral
Formula: C10H10FNO3
SMILES:   Fc1ccccc1NC(=O)COC(=O)C
InChI:   InChI=1/C10H10FNO3/c1-7(13)15-6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=49.6608 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.192 g/mol  logS: -2.29748  SlogP: 1.3273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226813  Sterimol/B1: 2.51622  Sterimol/B2: 3.14289  Sterimol/B3: 3.32211
  Sterimol/B4: 4.73496  Sterimol/L: 14.5664 
 
 Surface and Volume Properties
  Accessible surface: 418.824  Positive charged surface: 239.023  Negative charged surface: 179.801  Volume: 187.625
  Hydrophobic surface: 327.329  Hydrophilic surface: 91.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.