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NCID-ZINC01737919

 MMsINC code: MMs02358654
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(=O)C(N)C(C(=O)N)CO
InChI:   InChI=1/C5H10N2O4/c6-3(5(10)11)2(1-8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)/t2-,3+/m1/s1

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Potential Energy
Epot(MMFF94)=29.3466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.88976  SlogP: -2.5079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300781  Sterimol/B1: 2.99458  Sterimol/B2: 3.01238  Sterimol/B3: 3.68928
  Sterimol/B4: 4.51617  Sterimol/L: 9.73932 
 
 Surface and Volume Properties
  Accessible surface: 321.454  Positive charged surface: 224.445  Negative charged surface: 97.0086  Volume: 135.625
  Hydrophobic surface: 68.3368  Hydrophilic surface: 253.1172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02358655
NCID-ZINC01737919