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NCID-ZINC05104244

 MMsINC code: MMs02440585
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1N(CC(O)=O)C(NC1CC(C)C)(C)C
InChI:   InChI=1/C11H20N2O3/c1-7(2)5-8-10(16)13(6-9(14)15)11(3,4)12-8/h7-8,12H,5-6H2,1-4H3,(H,14,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=28.3004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.83854  SlogP: 0.6536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158448  Sterimol/B1: 2.12682  Sterimol/B2: 3.86486  Sterimol/B3: 4.73539
  Sterimol/B4: 4.97675  Sterimol/L: 13.4548 
 
 Surface and Volume Properties
  Accessible surface: 447.361  Positive charged surface: 301.733  Negative charged surface: 145.628  Volume: 228.25
  Hydrophobic surface: 238.701  Hydrophilic surface: 208.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02440586
NCID-ZINC05104244