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PUBCHEM-ZINC05291808

 MMsINC code: MMs03234040
Type: Neutral
Formula: C10H14N4O6
SMILES:   O1C(COC(=O)C)C(O)C(O)C1n1nc(nc1)C(=O)N
InChI:   InChI=1/C10H14N4O6/c1-4(15)19-2-5-6(16)7(17)10(20-5)14-3-12-9(13-14)8(11)18/h3,5-7,10,16-17H,2H2,1H3,(H2,11,18)/t5-,6-,7-,10+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.244 g/mol  logS: -0.14399  SlogP: -2.3452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142305  Sterimol/B1: 2.6292  Sterimol/B2: 3.76153  Sterimol/B3: 4.41719
  Sterimol/B4: 6.61004  Sterimol/L: 14.3905 
 
 Surface and Volume Properties
  Accessible surface: 497.389  Positive charged surface: 351.9  Negative charged surface: 145.489  Volume: 237
  Hydrophobic surface: 224.421  Hydrophilic surface: 272.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.