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PUBCHEM-ZINC00388957

 MMsINC code: MMs02671229
Type: Neutral
Formula: C13H26N2O
SMILES:   O=C(NC1CCCCC1)NC(CC(C)C)C
InChI:   InChI=1/C13H26N2O/c1-10(2)9-11(3)14-13(16)15-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-10.2171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.364 g/mol  logS: -2.9621  SlogP: 3.0529  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0899255  Sterimol/B1: 2.34947  Sterimol/B2: 2.56847  Sterimol/B3: 4.65787
  Sterimol/B4: 6.19232  Sterimol/L: 14.7342 
 
 Surface and Volume Properties
  Accessible surface: 498.213  Positive charged surface: 381.984  Negative charged surface: 116.229  Volume: 254.5
  Hydrophobic surface: 390.972  Hydrophilic surface: 107.241
 
 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.