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CHEMDIV-ZINC00246608

 MMsINC code: MMs00845826
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(NC1CCCC1)C1(N(C(=O)C)C)CCCCC1
InChI:   InChI=1/C15H26N2O2/c1-12(18)17(2)15(10-6-3-7-11-15)14(19)16-13-8-4-5-9-13/h13H,3-11H2,1-2H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=80.7946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.26411  SlogP: 2.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175926  Sterimol/B1: 2.11562  Sterimol/B2: 3.9227  Sterimol/B3: 3.93505
  Sterimol/B4: 7.26781  Sterimol/L: 13.6133 
 
 Surface and Volume Properties
  Accessible surface: 494.789  Positive charged surface: 372.515  Negative charged surface: 122.275  Volume: 277.25
  Hydrophobic surface: 462.94  Hydrophilic surface: 31.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.