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ASINEX-ZINC02735983

 MMsINC code: MMs00277099
Type: Neutral
Formula: C20H25FN2O2
SMILES:   Fc1ccc(cc1)CN1CCN(CC1)Cc1ccc(OC)cc1OC
InChI:   InChI=1/C20H25FN2O2/c1-24-19-8-5-17(20(13-19)25-2)15-23-11-9-22(10-12-23)14-16-3-6-18(21)7-4-16/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)=120.876 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: 0.103032  Sterimol/B1: 2.36148  Sterimol/B2: 3.92767  Sterimol/B3: 5.58527
  Sterimol/B4: 6.28288  Sterimol/L: 17.0358 
 
 Surface and Volume Properties
  Accessible surface: 617.37  Positive charged surface: 460.849  Negative charged surface: 156.521  Volume: 342.125
  Hydrophobic surface: 590.382  Hydrophilic surface: 26.988
 
 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


MMs00277100
ASINEX-ZINC02735983