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PUBCHEM-ZINC05915783

 MMsINC code: MMs03442466
Type: Neutral
Formula: C17H30N2O2
SMILES:   O=C(N1CCC(CC1)C)CCCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C17H30N2O2/c1-14-6-10-18(11-7-14)16(20)4-3-5-17(21)19-12-8-15(2)9-13-19/h14-15H,3-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.2825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.439 g/mol  logS: -2.22805  SlogP: 2.6737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393087  Sterimol/B1: 2.37399  Sterimol/B2: 2.47677  Sterimol/B3: 4.34136
  Sterimol/B4: 5.70709  Sterimol/L: 18.858 
 
 Surface and Volume Properties
  Accessible surface: 591.082  Positive charged surface: 477.016  Negative charged surface: 114.067  Volume: 317
  Hydrophobic surface: 486.084  Hydrophilic surface: 104.998
 
 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: no related molecules available.