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PUBCHEM-ZINC03642279

 MMsINC code: MMs03031732
Type: Neutral
Formula: C11H16N2O4
SMILES:   OC1CCC(N2C(=O)C(C)C(=O)NC2=O)CC1
InChI:   InChI=1/C11H16N2O4/c1-6-9(15)12-11(17)13(10(6)16)7-2-4-8(14)5-3-7/h6-8,14H,2-5H2,1H3,(H,12,15,17)/t6-,7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.69116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.259 g/mol  logS: -1.25887  SlogP: 0.0044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126662  Sterimol/B1: 2.43696  Sterimol/B2: 3.39894  Sterimol/B3: 3.66267
  Sterimol/B4: 5.16628  Sterimol/L: 13.2348 
 
 Surface and Volume Properties
  Accessible surface: 424.94  Positive charged surface: 284.57  Negative charged surface: 140.371  Volume: 214
  Hydrophobic surface: 231.138  Hydrophilic surface: 193.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.