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PUBCHEM-ZINC00576425

 MMsINC code: MMs02708462
Type: Neutral
Formula: C15H14FNO2
SMILES:   Fc1ccc(cc1)CNc1cc2OCCOc2cc1
InChI:   InChI=1/C15H14FNO2/c16-12-3-1-11(2-4-12)10-17-13-5-6-14-15(9-13)19-8-7-18-14/h1-6,9,17H,7-8,10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.1757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.28 g/mol  logS: -3.49382  SlogP: 3.4754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563781  Sterimol/B1: 2.51263  Sterimol/B2: 3.852  Sterimol/B3: 3.98297
  Sterimol/B4: 4.81368  Sterimol/L: 16.4836 
 
 Surface and Volume Properties
  Accessible surface: 489.497  Positive charged surface: 315.051  Negative charged surface: 174.446  Volume: 243.375
  Hydrophobic surface: 450.323  Hydrophilic surface: 39.174
 
 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.