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PUBCHEM-ZINC06050684

 MMsINC code: MMs03515229
Type: Neutral
Formula: C10H22N2O
SMILES:   O=C(N(CC)CC)NC(CC)CC
InChI:   InChI=1/C10H22N2O/c1-5-9(6-2)11-10(13)12(7-3)8-4/h9H,5-8H2,1-4H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=-7.30356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -1.21072  SlogP: 2.2264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314069  Sterimol/B1: 2.43781  Sterimol/B2: 3.73489  Sterimol/B3: 5.04292
  Sterimol/B4: 7.13135  Sterimol/L: 11.1247 
 
 Surface and Volume Properties
  Accessible surface: 424.734  Positive charged surface: 320.087  Negative charged surface: 104.647  Volume: 213.875
  Hydrophobic surface: 327.771  Hydrophilic surface: 96.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.