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NCID-ZINC01674929

 MMsINC code: MMs02310321
Type: Ionized
Formula: C11H18N2O5-2
SMILES:   O=C([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)/p-2/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=27.9758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -1.57841  SlogP: -2.1654  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134217  Sterimol/B1: 3.50294  Sterimol/B2: 3.54098  Sterimol/B3: 4.58979
  Sterimol/B4: 5.57634  Sterimol/L: 12.7749 
 
 Surface and Volume Properties
  Accessible surface: 476.5  Positive charged surface: 269.908  Negative charged surface: 206.592  Volume: 243.25
  Hydrophobic surface: 223.597  Hydrophilic surface: 252.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 4  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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Parent related molecule:


MMs02310320
NCID-ZINC01674929