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PUBCHEM-ZINC00388933

 MMsINC code: MMs02671210
Type: Neutral
Formula: C12H24N2O
SMILES:   O=C(NC1CCCCC1)NC(CCC)C
InChI:   InChI=1/C12H24N2O/c1-3-7-10(2)13-12(15)14-11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-18.4836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.337 g/mol  logS: -2.44688  SlogP: 2.8069  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0484409  Sterimol/B1: 2.50591  Sterimol/B2: 2.87915  Sterimol/B3: 2.97643
  Sterimol/B4: 6.22015  Sterimol/L: 15.0983 
 
 Surface and Volume Properties
  Accessible surface: 480.542  Positive charged surface: 375.015  Negative charged surface: 105.527  Volume: 238.875
  Hydrophobic surface: 385.46  Hydrophilic surface: 95.082
 
 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.