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NCID-ZINC01575562

 MMsINC code: MMs02234357
Type: Neutral
Formula: C8H16N2O3
SMILES:   OC(=O)C(NC(=O)CCN)C(C)C
InChI:   InChI=1/C8H16N2O3/c1-5(2)7(8(12)13)10-6(11)3-4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=23.0611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: -0.06298  SlogP: -0.4394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126215  Sterimol/B1: 1.969  Sterimol/B2: 3.61916  Sterimol/B3: 4.56558
  Sterimol/B4: 5.06105  Sterimol/L: 12.3183 
 
 Surface and Volume Properties
  Accessible surface: 395.217  Positive charged surface: 285.209  Negative charged surface: 110.008  Volume: 183.25
  Hydrophobic surface: 178.2  Hydrophilic surface: 217.017
 
 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.