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PUBCHEM-ZINC06593637

 MMsINC code: MMs03812134
Type: Neutral
Formula: C10H22N2O
SMILES:   O=C(N(CC)CC)NC(CCC)C
InChI:   InChI=1/C10H22N2O/c1-5-8-9(4)11-10(13)12(6-2)7-3/h9H,5-8H2,1-4H3,(H,11,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-14.6365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -1.52417  SlogP: 2.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238218  Sterimol/B1: 2.57526  Sterimol/B2: 4.06436  Sterimol/B3: 4.31808
  Sterimol/B4: 6.03408  Sterimol/L: 12.2253 
 
 Surface and Volume Properties
  Accessible surface: 441.414  Positive charged surface: 327.73  Negative charged surface: 113.685  Volume: 214.125
  Hydrophobic surface: 330.928  Hydrophilic surface: 110.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.