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NCID-ZINC00398352

 MMsINC code: MMs02215806
Type: Neutral
Formula: C11H22N2O
SMILES:   O=C(NC1CCCCC1)NC(C)(C)C
InChI:   InChI=1/C11H22N2O/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-2.40423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.31 g/mol  logS: -2.0571  SlogP: 2.4168  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0883842  Sterimol/B1: 2.04987  Sterimol/B2: 3.40813  Sterimol/B3: 4.24532
  Sterimol/B4: 4.8029  Sterimol/L: 13.7423 
 
 Surface and Volume Properties
  Accessible surface: 437.304  Positive charged surface: 338.035  Negative charged surface: 99.269  Volume: 218.125
  Hydrophobic surface: 338.583  Hydrophilic surface: 98.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.