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NCID-ZINC05104246

 MMsINC code: MMs02440589
Type: Neutral
Formula: C6H10N2O3
SMILES:   O=C1N(CC(O)=O)C(NC1)C
InChI:   InChI=1/C6H10N2O3/c1-4-7-2-5(9)8(4)3-6(10)11/h4,7H,2-3H2,1H3,(H,10,11)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=14.2436 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.157 g/mol  logS: 0.22332  SlogP: -1.1512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186981  Sterimol/B1: 2.14618  Sterimol/B2: 2.89958  Sterimol/B3: 3.36091
  Sterimol/B4: 6.19761  Sterimol/L: 9.8063 
 
 Surface and Volume Properties
  Accessible surface: 332.71  Positive charged surface: 226.674  Negative charged surface: 106.035  Volume: 144.25
  Hydrophobic surface: 143.076  Hydrophilic surface: 189.634
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02440590
NCID-ZINC05104246