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IFLAB-ZINC04303637

 MMsINC code: MMs02037186
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)=60.8383 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: 0.16831  Sterimol/B1: 2.4447  Sterimol/B2: 2.68127  Sterimol/B3: 4.53268
  Sterimol/B4: 8.13215  Sterimol/L: 12.9643 
 
 Surface and Volume Properties
  Accessible surface: 467.432  Positive charged surface: 340.581  Negative charged surface: 126.851  Volume: 228.25
  Hydrophobic surface: 263.837  Hydrophilic surface: 203.595
 
 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.