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NCID-ZINC01652755

 MMsINC code: MMs02291919
Type: Neutral
Formula: C8H14N2O4
SMILES:   O(C(=O)CCC(=O)NCC(=O)NC)C
InChI:   InChI=1/C8H14N2O4/c1-9-7(12)5-10-6(11)3-4-8(13)14-2/h3-5H2,1-2H3,(H,9,12)(H,10,11)

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Potential Energy
Epot(MMFF94)=13.0067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: -0.10769  SlogP: -1.1982  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0162558  Sterimol/B1: 2.37522  Sterimol/B2: 2.37543  Sterimol/B3: 2.54845
  Sterimol/B4: 4.11882  Sterimol/L: 16.924 
 
 Surface and Volume Properties
  Accessible surface: 438.579  Positive charged surface: 349.777  Negative charged surface: 88.8023  Volume: 191.125
  Hydrophobic surface: 287.051  Hydrophilic surface: 151.528
 
 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.