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NCID-ZINC01643546

 MMsINC code: MMs02284979
Type: Neutral
Formula: C11H18N2O5
SMILES:   O(C(=O)C1(NC(=O)C(N)CC(O)=O)CC1(C)C)C
InChI:   InChI=1/C11H18N2O5/c1-10(2)5-11(10,9(17)18-3)13-8(16)6(12)4-7(14)15/h6H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)/t6-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=64.528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -0.69632  SlogP: -0.7537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132504  Sterimol/B1: 2.14309  Sterimol/B2: 3.27517  Sterimol/B3: 3.95755
  Sterimol/B4: 8.14643  Sterimol/L: 13.1537 
 
 Surface and Volume Properties
  Accessible surface: 477.086  Positive charged surface: 338.341  Negative charged surface: 138.745  Volume: 241.25
  Hydrophobic surface: 270.213  Hydrophilic surface: 206.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.