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APOLLO-ZINC01648268

 MMsINC code: MMs00049672
Type: Neutral
Formula: C5H10N2O3
SMILES:   O(C(=O)CNC(=O)N)CC
InChI:   InChI=1/C5H10N2O3/c1-2-10-4(8)3-7-5(6)9/h2-3H2,1H3,(H3,6,7,9)

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Potential Energy
Epot(MMFF94)=-14.4066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: -0.4457  SlogP: -0.7822  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0243061  Sterimol/B1: 2.37481  Sterimol/B2: 2.37568  Sterimol/B3: 3.04385
  Sterimol/B4: 3.43954  Sterimol/L: 12.9339 
 
 Surface and Volume Properties
  Accessible surface: 345.2  Positive charged surface: 249.991  Negative charged surface: 95.2084  Volume: 135.25
  Hydrophobic surface: 141.786  Hydrophilic surface: 203.414
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.