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NCID-ZINC04530781

 MMsINC code: MMs02389944
Type: Neutral
Formula: C16H25NO9
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(N(C)C)C1OC(=O)C
InChI:   InChI=1/C16H25NO9/c1-8(18)22-7-12-14(23-9(2)19)15(24-10(3)20)13(17(5)6)16(26-12)25-11(4)21/h12-16H,7H2,1-6H3/t12-,13+,14+,15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=106.198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.374 g/mol  logS: -1.32276  SlogP: -0.3689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25477  Sterimol/B1: 2.75318  Sterimol/B2: 4.00112  Sterimol/B3: 5.29394
  Sterimol/B4: 9.08953  Sterimol/L: 14.5757 
 
 Surface and Volume Properties
  Accessible surface: 617.623  Positive charged surface: 418.315  Negative charged surface: 199.308  Volume: 339.125
  Hydrophobic surface: 482.169  Hydrophilic surface: 135.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02389945
NCID-ZINC04530781