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MAYBRIDGE-ZINC01048855

 MMsINC code: MMs02157691
Type: Neutral
Formula: C10H8F2N2O
SMILES:   Fc1cc(F)cc(-c2n(ncc2)C)c1O
InChI:   InChI=1/C10H8F2N2O/c1-14-9(2-3-13-14)7-4-6(11)5-8(12)10(7)15/h2-5,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.8653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.183 g/mol  logS: -2.33812  SlogP: 2.4301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096617  Sterimol/B1: 2.09536  Sterimol/B2: 2.17228  Sterimol/B3: 3.47798
  Sterimol/B4: 6.23258  Sterimol/L: 11.0975 
 
 Surface and Volume Properties
  Accessible surface: 376.184  Positive charged surface: 223.136  Negative charged surface: 153.048  Volume: 177.625
  Hydrophobic surface: 315.206  Hydrophilic surface: 60.978
 
 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.