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NCID-ZINC01621225

 MMsINC code: MMs02269173
Type: Neutral
Formula: C8H16N2O3
SMILES:   OC(=O)C(NCCCC)CC(=O)N
InChI:   InChI=1/C8H16N2O3/c1-2-3-4-10-6(8(12)13)5-7(9)11/h6,10H,2-5H2,1H3,(H2,9,11)(H,12,13)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=13.7622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: -0.558  SlogP: -0.2953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604065  Sterimol/B1: 2.58101  Sterimol/B2: 3.18289  Sterimol/B3: 4.01509
  Sterimol/B4: 5.67522  Sterimol/L: 12.7027 
 
 Surface and Volume Properties
  Accessible surface: 415.319  Positive charged surface: 300.753  Negative charged surface: 114.567  Volume: 183.375
  Hydrophobic surface: 197.269  Hydrophilic surface: 218.05
 
 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.