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MAYBRIDGE-ZINC04336710

 MMsINC code: MMs02168858
Type: Neutral
Formula: C13H19NO9
SMILES:   O(C(C(OC(=O)C)C(=O)N)C(OC(=O)C)COC(=O)C)C(=O)C
InChI:   InChI=1/C13H19NO9/c1-6(15)20-5-10(21-7(2)16)11(22-8(3)17)12(13(14)19)23-9(4)18/h10-12H,5H2,1-4H3,(H2,14,19)/t10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=48.3834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.293 g/mol  logS: -1.53122  SlogP: -1.1701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753177  Sterimol/B1: 2.8657  Sterimol/B2: 3.56114  Sterimol/B3: 4.1397
  Sterimol/B4: 8.4895  Sterimol/L: 13.9081 
 
 Surface and Volume Properties
  Accessible surface: 549.227  Positive charged surface: 320.871  Negative charged surface: 228.356  Volume: 290.875
  Hydrophobic surface: 345.098  Hydrophilic surface: 204.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.