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PUBCHEM-ZINC04787868

 MMsINC code: MMs03171323
Type: Neutral
Formula: C10H18N2O6
SMILES:   O1C(CO)C(O)C(NC(=O)C)C(NC(=O)C)C1O
InChI:   InChI=1/C10H18N2O6/c1-4(14)11-7-8(12-5(2)15)10(17)18-6(3-13)9(7)16/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.262 g/mol  logS: 0.48501  SlogP: -2.9338  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108881  Sterimol/B1: 2.33747  Sterimol/B2: 3.23164  Sterimol/B3: 3.34134
  Sterimol/B4: 9.14053  Sterimol/L: 13.0218 
 
 Surface and Volume Properties
  Accessible surface: 479.281  Positive charged surface: 333.757  Negative charged surface: 145.523  Volume: 231.125
  Hydrophobic surface: 260.66  Hydrophilic surface: 218.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.