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ASINEX-ZINC00285202

 MMsINC code: MMs00108607
Type: Neutral
Formula: C20H23FN2O
SMILES:   Fc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc(cc1)CC
InChI:   InChI=1/C20H23FN2O/c1-2-16-3-5-17(6-4-16)15-22-11-13-23(14-12-22)20(24)18-7-9-19(21)10-8-18/h3-10H,2,11-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.415 g/mol  logS: -4.52377  SlogP: 3.61247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613969  Sterimol/B1: 3.20555  Sterimol/B2: 3.56442  Sterimol/B3: 4.14874
  Sterimol/B4: 6.78094  Sterimol/L: 17.1144 
 
 Surface and Volume Properties
  Accessible surface: 590.323  Positive charged surface: 385.414  Negative charged surface: 204.909  Volume: 327.125
  Hydrophobic surface: 529.22  Hydrophilic surface: 61.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00108608
ASINEX-ZINC00285202