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NCID-ZINC06002658

 MMsINC code: MMs02514595
Type: Neutral
Formula: C11H18N2O5
SMILES:   O(C(=O)C1(NC(=O)C(N)CC(O)=O)C(C)C1C)C
InChI:   InChI=1/C11H18N2O5/c1-5-6(2)11(5,10(17)18-3)13-9(16)7(12)4-8(14)15/h5-7H,4,12H2,1-3H3,(H,13,16)(H,14,15)/t5-,6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=58.4399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -0.69632  SlogP: -0.8978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179105  Sterimol/B1: 2.17181  Sterimol/B2: 3.94886  Sterimol/B3: 5.57538
  Sterimol/B4: 6.14934  Sterimol/L: 12.9728 
 
 Surface and Volume Properties
  Accessible surface: 481.929  Positive charged surface: 342.101  Negative charged surface: 139.828  Volume: 240.25
  Hydrophobic surface: 296.732  Hydrophilic surface: 185.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.