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PUBCHEM-ZINC06816560

 MMsINC code: MMs03867007
Type: Neutral
Formula: C14H20N4O6
SMILES:   O1CCN(CC1)C(=O)C(NC(=O)CN1C=C(C)C(=O)NC1=O)CO
InChI:   InChI=1/C14H20N4O6/c1-9-6-18(14(23)16-12(9)21)7-11(20)15-10(8-19)13(22)17-2-4-24-5-3-17/h6,10,19H,2-5,7-8H2,1H3,(H,15,20)(H,16,21,23)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=59.3708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.336 g/mol  logS: -0.6521  SlogP: -2.2221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829127  Sterimol/B1: 2.16444  Sterimol/B2: 3.69358  Sterimol/B3: 3.93172
  Sterimol/B4: 7.93497  Sterimol/L: 16.1391 
 
 Surface and Volume Properties
  Accessible surface: 577.801  Positive charged surface: 416.149  Negative charged surface: 161.652  Volume: 295.625
  Hydrophobic surface: 339.656  Hydrophilic surface: 238.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.