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NCID-ZINC01605620

 MMsINC code: MMs02257811
Type: Neutral
Formula: C11H22N2O
SMILES:   O=C(NC1CC(CC(C1)C)C)N(C)C
InChI:   InChI=1/C11H22N2O/c1-8-5-9(2)7-10(6-8)12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=12.0789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.31 g/mol  logS: -1.99992  SlogP: 2.0823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957458  Sterimol/B1: 2.33451  Sterimol/B2: 2.37193  Sterimol/B3: 3.89951
  Sterimol/B4: 6.20243  Sterimol/L: 13.0072 
 
 Surface and Volume Properties
  Accessible surface: 438.351  Positive charged surface: 365.555  Negative charged surface: 72.7969  Volume: 219.125
  Hydrophobic surface: 366.931  Hydrophilic surface: 71.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.