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ASINEX-ZINC06678592

 MMsINC code: MMs00442796
Type: Neutral
Formula: C13H12FNO
SMILES:   Fc1cc(ccc1)COc1cc(N)ccc1
InChI:   InChI=1/C13H12FNO/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8H,9,15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.243 g/mol  logS: -3.21902  SlogP: 3.2533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779966  Sterimol/B1: 2.4247  Sterimol/B2: 3.64653  Sterimol/B3: 4.47715
  Sterimol/B4: 5.0561  Sterimol/L: 14.2374 
 
 Surface and Volume Properties
  Accessible surface: 439.554  Positive charged surface: 248.859  Negative charged surface: 190.696  Volume: 209.375
  Hydrophobic surface: 369.479  Hydrophilic surface: 70.075
 
 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.