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PUBCHEM-ZINC04531049

 MMsINC code: MMs03129792
Type: Neutral
Formula: C11H21NO7
SMILES:   O1C(CO)C(O)C(O)C(NC(OCC)=O)C1OCC
InChI:   InChI=1/C11H21NO7/c1-3-17-10-7(12-11(16)18-4-2)9(15)8(14)6(5-13)19-10/h6-10,13-15H,3-5H2,1-2H3,(H,12,16)/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)=54.8344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.289 g/mol  logS: -0.20158  SlogP: -1.4234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667981  Sterimol/B1: 2.47876  Sterimol/B2: 3.05383  Sterimol/B3: 3.23216
  Sterimol/B4: 9.03827  Sterimol/L: 15.1379 
 
 Surface and Volume Properties
  Accessible surface: 517.818  Positive charged surface: 397.729  Negative charged surface: 120.089  Volume: 252.5
  Hydrophobic surface: 286.809  Hydrophilic surface: 231.009
 
 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.