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PUBCHEM-ZINC02872617

 MMsINC code: MMs02949386
Type: Neutral
Formula: C16H24N2O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccc(cc1)CC
InChI:   InChI=1/C16H24N2O2/c1-2-14-4-6-15(7-5-14)16(19)17-8-3-9-18-10-12-20-13-11-18/h4-7H,2-3,8-13H2,1H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.6564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.38 g/mol  logS: -2.91129  SlogP: 1.70107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0247504  Sterimol/B1: 2.54585  Sterimol/B2: 2.96813  Sterimol/B3: 3.8014
  Sterimol/B4: 5.88805  Sterimol/L: 18.9269 
 
 Surface and Volume Properties
  Accessible surface: 570.203  Positive charged surface: 430.634  Negative charged surface: 139.569  Volume: 291.625
  Hydrophobic surface: 489.333  Hydrophilic surface: 80.87
 
 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


MMs02949387
PUBCHEM-ZINC02872617