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CHEMBRIDGE-ZINC04701749

 MMsINC code: MMs00778081
Type: Neutral
Formula: C20H24N2O2
SMILES:   O1CCN(CC1)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C20H24N2O2/c1-16-2-4-17(5-3-16)14-21-20(23)19-8-6-18(7-9-19)15-22-10-12-24-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.0757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.424 g/mol  logS: -3.93576  SlogP: 3.29002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0512455  Sterimol/B1: 2.4318  Sterimol/B2: 3.05767  Sterimol/B3: 4.35631
  Sterimol/B4: 7.3009  Sterimol/L: 19.2289 
 
 Surface and Volume Properties
  Accessible surface: 628.936  Positive charged surface: 436.496  Negative charged surface: 192.44  Volume: 333.375
  Hydrophobic surface: 560.31  Hydrophilic surface: 68.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00778082
CHEMBRIDGE-ZINC04701749