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PUBCHEM-ZINC06046924

 MMsINC code: MMs03513043
Type: Neutral
Formula: C10H12FNO2
SMILES:   Fc1ccc(cc1)CNC(OCC)=O
InChI:   InChI=1/C10H12FNO2/c1-2-14-10(13)12-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=-0.751329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.209 g/mol  logS: -2.23002  SlogP: 2.3382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773551  Sterimol/B1: 2.09925  Sterimol/B2: 3.61638  Sterimol/B3: 3.63013
  Sterimol/B4: 4.5375  Sterimol/L: 14.6757 
 
 Surface and Volume Properties
  Accessible surface: 423.832  Positive charged surface: 264.139  Negative charged surface: 159.693  Volume: 185.75
  Hydrophobic surface: 329.941  Hydrophilic surface: 93.891
 
 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.