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IFLAB-ZINC04141140

 MMsINC code: MMs02022313
Type: Neutral
Formula: C15H23NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(NC(=O)C)C1OC
InChI:   InChI=1/C15H23NO9/c1-7(17)16-12-14(24-10(4)20)13(23-9(3)19)11(6-22-8(2)18)25-15(12)21-5/h11-15H,6H2,1-5H3,(H,16,17)/t11-,12+,13+,14+,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.347 g/mol  logS: -1.33191  SlogP: -0.7111  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.499884  Sterimol/B1: 2.50813  Sterimol/B2: 5.53229  Sterimol/B3: 5.55577
  Sterimol/B4: 9.35984  Sterimol/L: 13.9871 
 
 Surface and Volume Properties
  Accessible surface: 618.94  Positive charged surface: 411.55  Negative charged surface: 207.39  Volume: 323.25
  Hydrophobic surface: 464.536  Hydrophilic surface: 154.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.