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CHEMBRIDGE-ZINC02086643

 MMsINC code: MMs00702045
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NC(CNC(=O)CCC)C)CCC
InChI:   InChI=1/C11H22N2O2/c1-4-6-10(14)12-8-9(3)13-11(15)7-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=6.48748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.71159  SlogP: 1.2075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437924  Sterimol/B1: 2.80628  Sterimol/B2: 2.94953  Sterimol/B3: 2.97327
  Sterimol/B4: 7.64495  Sterimol/L: 15.3823 
 
 Surface and Volume Properties
  Accessible surface: 500.833  Positive charged surface: 375.603  Negative charged surface: 125.23  Volume: 232.375
  Hydrophobic surface: 357.454  Hydrophilic surface: 143.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.