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PUBCHEM-ZINC04543739

 MMsINC code: MMs03131612
Type: Neutral
Formula: C10H19NO8
SMILES:   O1CC(O)C(O)C(O)C1NC1OCC(O)C(O)C1O
InChI:   InChI=1/C10H19NO8/c12-3-1-18-9(7(16)5(3)14)11-10-8(17)6(15)4(13)2-19-10/h3-17H,1-2H2/t3-,4+,5-,6-,7-,8+,9+,10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.261 g/mol  logS: 1.51334  SlogP: -4.546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110758  Sterimol/B1: 2.54718  Sterimol/B2: 3.3775  Sterimol/B3: 3.65984
  Sterimol/B4: 5.20306  Sterimol/L: 13.1295 
 
 Surface and Volume Properties
  Accessible surface: 473.46  Positive charged surface: 389.019  Negative charged surface: 84.4411  Volume: 233
  Hydrophobic surface: 207.467  Hydrophilic surface: 265.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.