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PUBCHEM-ZINC01591596

 MMsINC code: MMs02815631
Type: Neutral
Formula: C10H14N4O5
SMILES:   Oc1n(cnc1C(OC)=O)C(C(=O)NC)C(=O)NC
InChI:   InChI=1/C10H14N4O5/c1-11-7(15)6(8(16)12-2)14-4-13-5(9(14)17)10(18)19-3/h4,6,17H,1-3H3,(H,11,15)(H,12,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.5989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.245 g/mol  logS: -0.71221  SlogP: -1.4961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888281  Sterimol/B1: 2.34601  Sterimol/B2: 3.53646  Sterimol/B3: 3.98688
  Sterimol/B4: 8.60705  Sterimol/L: 14.7617 
 
 Surface and Volume Properties
  Accessible surface: 497.541  Positive charged surface: 394.715  Negative charged surface: 102.826  Volume: 235.5
  Hydrophobic surface: 320.775  Hydrophilic surface: 176.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.