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NCID-ZINC01737838

 MMsINC code: MMs02358599
Type: Neutral
Formula: C8H16N2O3
SMILES:   OC(=O)C(NC(=O)CN)(CC)CC
InChI:   InChI=1/C8H16N2O3/c1-3-8(4-2,7(12)13)10-6(11)5-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13)

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Potential Energy
Epot(MMFF94)=52.5561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: -0.50827  SlogP: -0.2953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280063  Sterimol/B1: 2.30321  Sterimol/B2: 2.94269  Sterimol/B3: 4.18261
  Sterimol/B4: 7.36483  Sterimol/L: 10.8634 
 
 Surface and Volume Properties
  Accessible surface: 381.734  Positive charged surface: 267.828  Negative charged surface: 113.907  Volume: 183.75
  Hydrophobic surface: 180.172  Hydrophilic surface: 201.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.