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MAYBRIDGE-ZINC03137564

 MMsINC code: MMs02161373
Type: Neutral
Formula: C6H10N2O4
SMILES:   OC(=O)C(NC(=O)C)CC(=O)N
InChI:   InChI=1/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=11.4724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.156 g/mol  logS: 0.07321  SlogP: -1.5489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108795  Sterimol/B1: 2.60076  Sterimol/B2: 2.88113  Sterimol/B3: 3.37995
  Sterimol/B4: 6.41825  Sterimol/L: 10.4096 
 
 Surface and Volume Properties
  Accessible surface: 355.974  Positive charged surface: 224.906  Negative charged surface: 131.068  Volume: 151.625
  Hydrophobic surface: 126.246  Hydrophilic surface: 229.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02161374
MAYBRIDGE-ZINC03137564