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PUBCHEM-ZINC03972138

 MMsINC code: MMs03086073
Type: Ionized
Formula: C16H22N2O6-2
SMILES:   O=C([O-])C1N(CCC1)C(=O)CCCCC(=O)N1CCCC1C(=O)[O-]
InChI:   InChI=1/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/p-2/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=71.3994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.36 g/mol  logS: -1.50842  SlogP: -1.9714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328944  Sterimol/B1: 2.5742  Sterimol/B2: 3.25907  Sterimol/B3: 4.28921
  Sterimol/B4: 6.1709  Sterimol/L: 18.1922 
 
 Surface and Volume Properties
  Accessible surface: 601.259  Positive charged surface: 384.632  Negative charged surface: 216.627  Volume: 314.75
  Hydrophobic surface: 387.562  Hydrophilic surface: 213.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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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Parent related molecule:


MMs03086072
PUBCHEM-ZINC03972138