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BACHEM-ZINC02384839

 MMsINC code: MMs00482898
Type: Neutral
Formula: C9H16N2O5
SMILES:   OC(=O)C(NC(=O)C(N)CC(O)=O)C(C)C
InChI:   InChI=1/C9H16N2O5/c1-4(2)7(9(15)16)11-8(14)5(10)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=41.1675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.236 g/mol  logS: -0.05882  SlogP: -0.9862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101242  Sterimol/B1: 1.97778  Sterimol/B2: 3.42322  Sterimol/B3: 4.73154
  Sterimol/B4: 4.73262  Sterimol/L: 13.2114 
 
 Surface and Volume Properties
  Accessible surface: 436.042  Positive charged surface: 279.978  Negative charged surface: 156.064  Volume: 208.25
  Hydrophobic surface: 150.026  Hydrophilic surface: 286.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs00482899
BACHEM-ZINC02384839