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NCID-ZINC01587088

 MMsINC code: MMs02243026
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NCCCCCCCNC(=O)C)C
InChI:   InChI=1/C11H22N2O2/c1-10(14)12-8-6-4-3-5-7-9-13-11(2)15/h3-9H2,1-2H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=-2.18493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.2727  SlogP: 1.2091  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168159  Sterimol/B1: 2.37514  Sterimol/B2: 2.37553  Sterimol/B3: 2.534
  Sterimol/B4: 3.82373  Sterimol/L: 19.2502 
 
 Surface and Volume Properties
  Accessible surface: 510.917  Positive charged surface: 379.904  Negative charged surface: 131.013  Volume: 232.875
  Hydrophobic surface: 396.165  Hydrophilic surface: 114.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.