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PUBCHEM-ZINC05497697

 MMsINC code: MMs03287067
Type: Neutral
Formula: C15H30N2O
SMILES:   O=C(NC1CCCCC1)NC(CCCC(C)C)C
InChI:   InChI=1/C15H30N2O/c1-12(2)8-7-9-13(3)16-15(18)17-14-10-5-4-6-11-14/h12-14H,4-11H2,1-3H3,(H2,16,17,18)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=-10.7301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.418 g/mol  logS: -3.99254  SlogP: 3.8331  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0518806  Sterimol/B1: 1.969  Sterimol/B2: 2.93134  Sterimol/B3: 4.71496
  Sterimol/B4: 7.13264  Sterimol/L: 16.8046 
 
 Surface and Volume Properties
  Accessible surface: 565.77  Positive charged surface: 442.878  Negative charged surface: 122.892  Volume: 292.125
  Hydrophobic surface: 455.173  Hydrophilic surface: 110.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.