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CHEMBRIDGE-ZINC02983197

 MMsINC code: MMs00744968
Type: Neutral
Formula: C14H16FNO3
SMILES:   Fc1ccc(cc1)\C=C(\NC(=O)C)/C(OC(C)C)=O
InChI:   InChI=1/C14H16FNO3/c1-9(2)19-14(18)13(16-10(3)17)8-11-4-6-12(15)7-5-11/h4-9H,1-3H3,(H,16,17)/b13-8-

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Potential Energy
Epot(MMFF94)=83.3097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.284 g/mol  logS: -3.46731  SlogP: 2.2543  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462284  Sterimol/B1: 2.30159  Sterimol/B2: 3.08646  Sterimol/B3: 4.02393
  Sterimol/B4: 6.577  Sterimol/L: 14.9374 
 
 Surface and Volume Properties
  Accessible surface: 499.726  Positive charged surface: 283.123  Negative charged surface: 216.603  Volume: 250.5
  Hydrophobic surface: 396.484  Hydrophilic surface: 103.242
 
 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.