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PUBCHEM-ZINC05908222

 MMsINC code: MMs03439766
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-9-6-4-5-7-13(9)11(16)12-8(2)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t8-,9+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.1279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.10452  SlogP: 1.4336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108341  Sterimol/B1: 2.56222  Sterimol/B2: 2.88022  Sterimol/B3: 3.63504
  Sterimol/B4: 7.45626  Sterimol/L: 12.6861 
 
 Surface and Volume Properties
  Accessible surface: 451.688  Positive charged surface: 332.409  Negative charged surface: 119.279  Volume: 225.125
  Hydrophobic surface: 295.323  Hydrophilic surface: 156.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03439767
PUBCHEM-ZINC05908222