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IFLAB-ZINC02457048

 MMsINC code: MMs01990189
Type: Neutral
Formula: C10H18N2O3
SMILES:   OC(=O)C(=O)N1CCN(CC1)CC(C)C
InChI:   InChI=1/C10H18N2O3/c1-8(2)7-11-3-5-12(6-4-11)9(13)10(14)15/h8H,3-7H2,1-2H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=78.8154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.265 g/mol  logS: -0.43044  SlogP: -0.1288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987879  Sterimol/B1: 2.47391  Sterimol/B2: 3.72728  Sterimol/B3: 3.88457
  Sterimol/B4: 4.21856  Sterimol/L: 14.211 
 
 Surface and Volume Properties
  Accessible surface: 433.047  Positive charged surface: 322.974  Negative charged surface: 110.074  Volume: 209.75
  Hydrophobic surface: 259.748  Hydrophilic surface: 173.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.