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NCID-ZINC01566730

 MMsINC code: MMs02227962
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)C(N)CC(=O)NC
InChI:   InChI=1/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=15.0581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.66777  SlogP: -1.4656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849372  Sterimol/B1: 2.82287  Sterimol/B2: 2.90774  Sterimol/B3: 2.98805
  Sterimol/B4: 3.90572  Sterimol/L: 11.1487 
 
 Surface and Volume Properties
  Accessible surface: 326.088  Positive charged surface: 242.065  Negative charged surface: 84.0236  Volume: 134.5
  Hydrophobic surface: 137.28  Hydrophilic surface: 188.808
 
 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: no related molecules available.