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PUBCHEM-ZINC06593574

 MMsINC code: MMs03812083
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-14.6731 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: 0.102853  Sterimol/B1: 3.06496  Sterimol/B2: 3.4351  Sterimol/B3: 3.45786
  Sterimol/B4: 6.08888  Sterimol/L: 13.052 
 
 Surface and Volume Properties
  Accessible surface: 440.139  Positive charged surface: 324.431  Negative charged surface: 115.708  Volume: 214.625
  Hydrophobic surface: 324.899  Hydrophilic surface: 115.24
 
 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.