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PUBCHEM-ZINC01048854

 MMsINC code: MMs02760742
Type: Neutral
Formula: C10H9FN2O
SMILES:   Fc1cc(-c2n(ncc2)C)c(O)cc1
InChI:   InChI=1/C10H9FN2O/c1-13-9(4-5-12-13)8-6-7(11)2-3-10(8)14/h2-6,14H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.1916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.193 g/mol  logS: -2.04314  SlogP: 2.291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956547  Sterimol/B1: 2.09615  Sterimol/B2: 2.16364  Sterimol/B3: 3.45796
  Sterimol/B4: 6.2689  Sterimol/L: 11.1254 
 
 Surface and Volume Properties
  Accessible surface: 369.808  Positive charged surface: 232.957  Negative charged surface: 136.851  Volume: 174.125
  Hydrophobic surface: 307.113  Hydrophilic surface: 62.695
 
 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.