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ENAMINE-ZINC02652832

 MMsINC code: MMs01276595
Type: Neutral
Formula: C18H12F2N2O4
SMILES:   Fc1ccccc1OCC(=O)n1ncc(c1)C(=O)c1cc(F)ccc1O
InChI:   InChI=1/C18H12F2N2O4/c19-12-5-6-15(23)13(7-12)18(25)11-8-21-22(9-11)17(24)10-26-16-4-2-1-3-14(16)20/h1-9,23H,10H2

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Potential Energy
Epot(MMFF94)=103.443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.3 g/mol  logS: -4.24778  SlogP: 2.8171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373928  Sterimol/B1: 2.55943  Sterimol/B2: 3.77816  Sterimol/B3: 4.12358
  Sterimol/B4: 6.25098  Sterimol/L: 18.6451 
 
 Surface and Volume Properties
  Accessible surface: 593.658  Positive charged surface: 296.982  Negative charged surface: 296.676  Volume: 304.375
  Hydrophobic surface: 443.085  Hydrophilic surface: 150.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.