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PUBCHEM-ZINC06252683

 MMsINC code: MMs03639999
Type: Neutral
Formula: C17H24N2O2
SMILES:   O1CCCC1CNCC(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C17H24N2O2/c20-17(12-18-11-14-7-4-10-21-14)19-16-9-3-6-13-5-1-2-8-15(13)16/h1-2,5,8,14,16,18H,3-4,6-7,9-12H2,(H,19,20)/t14-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.7863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.391 g/mol  logS: -2.89383  SlogP: 2.04427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0435907  Sterimol/B1: 2.47545  Sterimol/B2: 3.26772  Sterimol/B3: 3.53091
  Sterimol/B4: 7.45952  Sterimol/L: 17.2241 
 
 Surface and Volume Properties
  Accessible surface: 566.82  Positive charged surface: 421.798  Negative charged surface: 145.022  Volume: 295.75
  Hydrophobic surface: 505.823  Hydrophilic surface: 60.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.