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CHEMBLOCK-ZINC04622877

 MMsINC code: MMs00563371
Type: Neutral
Formula: C15H12FNO3
SMILES:   Fc1ccccc1C(=O)c1cc2OCCOc2cc1N
InChI:   InChI=1/C15H12FNO3/c16-11-4-2-1-3-9(11)15(18)10-7-13-14(8-12(10)17)20-6-5-19-13/h1-4,7-8H,5-6,17H2

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Potential Energy
Epot(MMFF94)=93.2846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.263 g/mol  logS: -3.72315  SlogP: 2.4101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126406  Sterimol/B1: 2.54606  Sterimol/B2: 2.88831  Sterimol/B3: 5.30518
  Sterimol/B4: 6.08383  Sterimol/L: 14.4485 
 
 Surface and Volume Properties
  Accessible surface: 472.568  Positive charged surface: 294.628  Negative charged surface: 177.939  Volume: 241.75
  Hydrophobic surface: 376.13  Hydrophilic surface: 96.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.