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IBS-ZINC00543081

 MMsINC code: MMs01751500
Type: Neutral
Formula: C10H18N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CC1)C(C)C)C
InChI:   InChI=1/C10H18N2O3/c1-6(2)8(9(13)15-3)12-10(14)11-7-4-5-7/h6-8H,4-5H2,1-3H3,(H2,11,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -1.29563  SlogP: 0.6456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0559952  Sterimol/B1: 2.82447  Sterimol/B2: 2.96738  Sterimol/B3: 3.18903
  Sterimol/B4: 6.0653  Sterimol/L: 14.0822 
 
 Surface and Volume Properties
  Accessible surface: 452.585  Positive charged surface: 334.587  Negative charged surface: 117.998  Volume: 216.125
  Hydrophobic surface: 290.543  Hydrophilic surface: 162.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.