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NCID-ZINC02022602

 MMsINC code: MMs02377890
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(=O)CNC(=O)C(N)CO
InChI:   InChI=1/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=36.9976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.75223  SlogP: -2.4932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676314  Sterimol/B1: 2.46212  Sterimol/B2: 2.56851  Sterimol/B3: 3.42574
  Sterimol/B4: 4.3824  Sterimol/L: 11.574 
 
 Surface and Volume Properties
  Accessible surface: 348.119  Positive charged surface: 242.177  Negative charged surface: 105.943  Volume: 140.25
  Hydrophobic surface: 92.6186  Hydrophilic surface: 255.5004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: no related molecules available.