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NCID-ZINC01691569

 MMsINC code: MMs02323602
Type: Neutral
Formula: C9H16N2O3
SMILES:   OC(=O)C1(NC(=O)C(N)C)CCCC1
InChI:   InChI=1/C9H16N2O3/c1-6(10)7(12)11-9(8(13)14)4-2-3-5-9/h6H,2-5,10H2,1H3,(H,11,12)(H,13,14)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=65.9319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.73344  SlogP: -0.1528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198676  Sterimol/B1: 2.2369  Sterimol/B2: 3.15522  Sterimol/B3: 4.53852
  Sterimol/B4: 5.12021  Sterimol/L: 11.2687 
 
 Surface and Volume Properties
  Accessible surface: 396.564  Positive charged surface: 285.124  Negative charged surface: 111.44  Volume: 191.75
  Hydrophobic surface: 225.962  Hydrophilic surface: 170.602
 
 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.