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NCID-ZINC05662949

 MMsINC code: MMs02483921
Type: Neutral
Formula: C15H28N4O8
SMILES:   O(CC)C(=O)NC(NC(OCC)=O)CC(NC(OCC)=O)NC(OCC)=O
InChI:   InChI=1/C15H28N4O8/c1-5-24-12(20)16-10(17-13(21)25-6-2)9-11(18-14(22)26-7-3)19-15(23)27-8-4/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,21)(H,18,22)(H,19,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-85.9156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.409 g/mol  logS: -1.86017  SlogP: 1.0131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241364  Sterimol/B1: 2.26579  Sterimol/B2: 2.53645  Sterimol/B3: 9.45797
  Sterimol/B4: 9.50465  Sterimol/L: 18.6692 
 
 Surface and Volume Properties
  Accessible surface: 728.726  Positive charged surface: 547.09  Negative charged surface: 181.636  Volume: 364.25
  Hydrophobic surface: 438.903  Hydrophilic surface: 289.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.