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IFLAB-ZINC04303625

 MMsINC code: MMs02037179
Type: Neutral
Formula: C10H19NO6
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1OCC
InChI:   InChI=1/C10H19NO6/c1-3-16-10-7(11-5(2)13)9(15)8(14)6(4-12)17-10/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9-,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.263 g/mol  logS: 0.19509  SlogP: -2.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204867  Sterimol/B1: 2.49531  Sterimol/B2: 3.42292  Sterimol/B3: 4.19873
  Sterimol/B4: 6.89926  Sterimol/L: 12.9894 
 
 Surface and Volume Properties
  Accessible surface: 460.068  Positive charged surface: 351.556  Negative charged surface: 108.512  Volume: 227.625
  Hydrophobic surface: 275.391  Hydrophilic surface: 184.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.