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CHEMDIV-ZINC04718442

 MMsINC code: MMs00944347
Type: Neutral
Formula: C20H25NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1Nc1ccccc1
InChI:   InChI=1/C20H25NO9/c1-11(22)26-10-16-17(27-12(2)23)18(28-13(3)24)19(29-14(4)25)20(30-16)21-15-8-6-5-7-9-15/h5-9,16-21H,10H2,1-4H3/t16-,17+,18+,19+,20-/m1/s1

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Potential Energy
Epot(MMFF94)=91.2825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.418 g/mol  logS: -3.01567  SlogP: 1.1816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302403  Sterimol/B1: 2.5087  Sterimol/B2: 4.50593  Sterimol/B3: 5.42216
  Sterimol/B4: 10.1349  Sterimol/L: 14.8162 
 
 Surface and Volume Properties
  Accessible surface: 708.299  Positive charged surface: 419.299  Negative charged surface: 288.999  Volume: 384
  Hydrophobic surface: 572.145  Hydrophilic surface: 136.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.