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ASINEX-ZINC00255865

 MMsINC code: MMs00100681
Type: Neutral
Formula: C20H25FN2O2
SMILES:   Fc1ccccc1CN1CCN(CC1)Cc1ccc(OC)cc1OC
InChI:   InChI=1/C20H25FN2O2/c1-24-18-8-7-17(20(13-18)25-2)15-23-11-9-22(10-12-23)14-16-5-3-4-6-19(16)21/h3-8,13H,9-12,14-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.43 g/mol  logS: -3.4667  SlogP: 3.6935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112065  Sterimol/B1: 2.45231  Sterimol/B2: 3.67648  Sterimol/B3: 5.61095
  Sterimol/B4: 6.30024  Sterimol/L: 16.641 
 
 Surface and Volume Properties
  Accessible surface: 609.528  Positive charged surface: 460.827  Negative charged surface: 148.701  Volume: 343.5
  Hydrophobic surface: 583.93  Hydrophilic surface: 25.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00100682
ASINEX-ZINC00255865