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IBS-ZINC00536729

 MMsINC code: MMs01749742
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCN(CC1)C(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C11H20N2O4/c1-8(2)9(10(14)16-3)12-11(15)13-4-6-17-7-5-13/h8-9H,4-7H2,1-3H3,(H,12,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=41.822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -0.92874  SlogP: 0.2258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128024  Sterimol/B1: 2.18203  Sterimol/B2: 3.47172  Sterimol/B3: 4.82734
  Sterimol/B4: 5.28948  Sterimol/L: 14.0455 
 
 Surface and Volume Properties
  Accessible surface: 470.526  Positive charged surface: 377.017  Negative charged surface: 93.5085  Volume: 236.25
  Hydrophobic surface: 359.357  Hydrophilic surface: 111.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.