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ENAMINE-ZINC03512535

 MMsINC code: MMs01483936
Type: Neutral
Formula: C19H14FNO4
SMILES:   Fc1ccc(cc1)C(=O)COC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C19H14FNO4/c1-12-17(18(21-25-12)14-5-3-2-4-6-14)19(23)24-11-16(22)13-7-9-15(20)10-8-13/h2-10H,11H2,1H3

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Potential Energy
Epot(MMFF94)=87.2926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.322 g/mol  logS: -5.51576  SlogP: 3.82882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066074  Sterimol/B1: 2.2703  Sterimol/B2: 3.85235  Sterimol/B3: 3.86202
  Sterimol/B4: 10.2541  Sterimol/L: 16.1805 
 
 Surface and Volume Properties
  Accessible surface: 582.805  Positive charged surface: 269.415  Negative charged surface: 313.39  Volume: 306.5
  Hydrophobic surface: 489.473  Hydrophilic surface: 93.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.