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PUBCHEM-ZINC06469366

 MMsINC code: MMs03750919
Type: Neutral
Formula: C10H16N2O6
SMILES:   O1C(CO)C(O)CC1N1CC(O)(C)C(=O)NC1=O
InChI:   InChI=1/C10H16N2O6/c1-10(17)4-12(9(16)11-8(10)15)7-2-5(14)6(3-13)18-7/h5-7,13-14,17H,2-4H2,1H3,(H,11,15,16)/t5-,6-,7+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.8167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.246 g/mol  logS: -0.12806  SlogP: -2.2426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155614  Sterimol/B1: 2.89682  Sterimol/B2: 3.53314  Sterimol/B3: 3.57634
  Sterimol/B4: 6.73813  Sterimol/L: 11.3812 
 
 Surface and Volume Properties
  Accessible surface: 432.403  Positive charged surface: 310.378  Negative charged surface: 122.025  Volume: 220.125
  Hydrophobic surface: 179.847  Hydrophilic surface: 252.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.