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PUBCHEM-ZINC03642277

 MMsINC code: MMs03031731
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+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=251.394 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: 0.238438  Sterimol/B1: 2.2595  Sterimol/B2: 3.31861  Sterimol/B3: 4.09207
  Sterimol/B4: 6.68087  Sterimol/L: 10.969 
 
 Surface and Volume Properties
  Accessible surface: 402.508  Positive charged surface: 276.757  Negative charged surface: 125.751  Volume: 207.875
  Hydrophobic surface: 224.885  Hydrophilic surface: 177.623
 
 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.