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PUBCHEM-ZINC06816574

 MMsINC code: MMs03867017
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-/m1/s1

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Potential Energy
Epot(MMFF94)=58.61 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: 0.0802592  Sterimol/B1: 2.71273  Sterimol/B2: 3.95076  Sterimol/B3: 4.0902
  Sterimol/B4: 6.27389  Sterimol/L: 16.968 
 
 Surface and Volume Properties
  Accessible surface: 572.647  Positive charged surface: 412.772  Negative charged surface: 159.875  Volume: 297.125
  Hydrophobic surface: 333.051  Hydrophilic surface: 239.596
 
 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.