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PUBCHEM-ZINC05456270

 MMsINC code: MMs03274804
Type: Neutral
Formula: C7H14N2O3
SMILES:   O(CCNC(=O)C(=O)NCC)C
InChI:   InChI=1/C7H14N2O3/c1-3-8-6(10)7(11)9-4-5-12-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=28.4923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.40553  SlogP: -1.1149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292172  Sterimol/B1: 2.52453  Sterimol/B2: 3.01926  Sterimol/B3: 3.38166
  Sterimol/B4: 3.70832  Sterimol/L: 14.6082 
 
 Surface and Volume Properties
  Accessible surface: 409.519  Positive charged surface: 325.785  Negative charged surface: 83.7341  Volume: 172.375
  Hydrophobic surface: 274.917  Hydrophilic surface: 134.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.