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PUBCHEM-ZINC04164983

 MMsINC code: MMs03095389
Type: Neutral
Formula: C15H16N4O6
SMILES:   O=C1NC(=O)N(C=C1C(=O)C)CCCN1C=C(C(=O)C)C(=O)NC1=O
InChI:   InChI=1/C15H16N4O6/c1-8(20)10-6-18(14(24)16-12(10)22)4-3-5-19-7-11(9(2)21)13(23)17-15(19)25/h6-7H,3-5H2,1-2H3,(H,16,22,24)(H,17,23,25)

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Potential Energy
Epot(MMFF94)=6.78163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.315 g/mol  logS: -1.92195  SlogP: -0.5741  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0862515  Sterimol/B1: 2.21835  Sterimol/B2: 4.11425  Sterimol/B3: 5.14904
  Sterimol/B4: 5.1775  Sterimol/L: 16.6854 
 
 Surface and Volume Properties
  Accessible surface: 570.271  Positive charged surface: 332.248  Negative charged surface: 238.024  Volume: 297.625
  Hydrophobic surface: 276.688  Hydrophilic surface: 293.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.