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NCID-ZINC05201878

 MMsINC code: MMs02447747
Type: Neutral
Formula: C16H27NO7
SMILES:   O(C(C(NC(=O)C)COC(=O)C)C(OC(=O)C)CCCC)C(=O)C
InChI:   InChI=1/C16H27NO7/c1-6-7-8-15(23-12(4)20)16(24-13(5)21)14(17-10(2)18)9-22-11(3)19/h14-16H,6-9H2,1-5H3,(H,17,18)/t14-,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=49.3876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.392 g/mol  logS: -2.57648  SlogP: 1.1078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.355221  Sterimol/B1: 2.17333  Sterimol/B2: 3.36774  Sterimol/B3: 7.31247
  Sterimol/B4: 8.30119  Sterimol/L: 15.3764 
 
 Surface and Volume Properties
  Accessible surface: 644.475  Positive charged surface: 426.457  Negative charged surface: 218.019  Volume: 332.25
  Hydrophobic surface: 502.502  Hydrophilic surface: 141.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.