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PUBCHEM-ZINC06022534

 MMsINC code: MMs03497833
Type: Neutral
Formula: C11H19NO6
SMILES:   O1C2C(OC(OC2)(C)C)C(O)C(NC(=O)C)C1O
InChI:   InChI=1/C11H19NO6/c1-5(13)12-7-8(14)9-6(17-10(7)15)4-16-11(2,3)18-9/h6-10,14-15H,4H2,1-3H3,(H,12,13)/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)=62.2469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.274 g/mol  logS: -0.6821  SlogP: -1.2793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.280555  Sterimol/B1: 2.07068  Sterimol/B2: 2.86677  Sterimol/B3: 4.54074
  Sterimol/B4: 7.86315  Sterimol/L: 10.6225 
 
 Surface and Volume Properties
  Accessible surface: 434.228  Positive charged surface: 315.387  Negative charged surface: 118.84  Volume: 233
  Hydrophobic surface: 269.051  Hydrophilic surface: 165.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.