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NCID-ZINC01674926

 MMsINC code: MMs02310316
Type: Neutral
Formula: C11H20N2O5
SMILES:   OC(=O)C(NC(=O)NC(C(C)C)C(O)=O)C(C)C
InChI:   InChI=1/C11H20N2O5/c1-5(2)7(9(14)15)12-11(18)13-8(6(3)4)10(16)17/h5-8H,1-4H3,(H,14,15)(H,16,17)(H2,12,13,18)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.6682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.29 g/mol  logS: -1.05751  SlogP: 0.504  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.101078  Sterimol/B1: 2.72316  Sterimol/B2: 3.50751  Sterimol/B3: 4.42209
  Sterimol/B4: 5.97209  Sterimol/L: 12.9451 
 
 Surface and Volume Properties
  Accessible surface: 481.217  Positive charged surface: 324.073  Negative charged surface: 157.144  Volume: 241.25
  Hydrophobic surface: 210.02  Hydrophilic surface: 271.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs02310317
NCID-ZINC01674926