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NCID-ZINC01280966

 MMsINC code: MMs02218480
Type: Neutral
Formula: C9H10FNO2
SMILES:   Fc1ccc(NC(OCC)=O)cc1
InChI:   InChI=1/C9H10FNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=21.3232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.182 g/mol  logS: -2.28598  SlogP: 2.3941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233429  Sterimol/B1: 2.54397  Sterimol/B2: 2.7605  Sterimol/B3: 3.65165
  Sterimol/B4: 4.09684  Sterimol/L: 13.6812 
 
 Surface and Volume Properties
  Accessible surface: 390.243  Positive charged surface: 236.664  Negative charged surface: 153.579  Volume: 169.75
  Hydrophobic surface: 304.54  Hydrophilic surface: 85.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.