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CHEMBLOCK-ZINC01442044

 MMsINC code: MMs00527134
Type: Neutral
Formula: C15H14FNO2
SMILES:   Fc1cccc(NC(OCc2ccccc2)=O)c1C
InChI:   InChI=1/C15H14FNO2/c1-11-13(16)8-5-9-14(11)17-15(18)19-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.1398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.28 g/mol  logS: -3.88714  SlogP: 4.14922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464306  Sterimol/B1: 2.12611  Sterimol/B2: 3.08319  Sterimol/B3: 3.846
  Sterimol/B4: 6.60461  Sterimol/L: 16.1283 
 
 Surface and Volume Properties
  Accessible surface: 500.576  Positive charged surface: 282.025  Negative charged surface: 218.551  Volume: 247
  Hydrophobic surface: 445.432  Hydrophilic surface: 55.144
 
 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.