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PUBCHEM-ZINC05620771

 MMsINC code: MMs03326751
Type: Neutral
Formula: C16H30N2O2
SMILES:   O=C(NC1CCCCCCCCCCC1)C\C(=N\O)\C
InChI:   InChI=1/C16H30N2O2/c1-14(18-20)13-16(19)17-15-11-9-7-5-3-2-4-6-8-10-12-15/h15,20H,2-13H2,1H3,(H,17,19)/b18-14-

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Potential Energy
Epot(MMFF94)=129.458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.428 g/mol  logS: -4.36142  SlogP: 4.0161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.321038  Sterimol/B1: 3.84807  Sterimol/B2: 4.03555  Sterimol/B3: 5.50908
  Sterimol/B4: 5.90919  Sterimol/L: 12.7205 
 
 Surface and Volume Properties
  Accessible surface: 529.437  Positive charged surface: 377.74  Negative charged surface: 151.697  Volume: 303.375
  Hydrophobic surface: 431.932  Hydrophilic surface: 97.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.