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OAKWOOD-ZINC02578117

 MMsINC code: MMs02546769
Type: Neutral
Formula: C11H20N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCCC1C(=O)N
InChI:   InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=61.8926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.74828  SlogP: 1.2613  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139757  Sterimol/B1: 2.53623  Sterimol/B2: 4.40151  Sterimol/B3: 4.45101
  Sterimol/B4: 5.48926  Sterimol/L: 11.9921 
 
 Surface and Volume Properties
  Accessible surface: 449.617  Positive charged surface: 342.355  Negative charged surface: 107.262  Volume: 226.25
  Hydrophobic surface: 303.348  Hydrophilic surface: 146.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.