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NCID-ZINC01654436

 MMsINC code: MMs02293168
Type: Neutral
Formula: C13H23NO7
SMILES:   O(C(=O)C(NC(OC(C)(C)C)=O)C(O)C(OCC)=O)CC
InChI:   InChI=1/C13H23NO7/c1-6-19-10(16)8(9(15)11(17)20-7-2)14-12(18)21-13(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,14,18)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=43.2339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.327 g/mol  logS: -2.08978  SlogP: 0.3668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122484  Sterimol/B1: 2.51228  Sterimol/B2: 2.61983  Sterimol/B3: 5.68715
  Sterimol/B4: 8.19077  Sterimol/L: 14.8924 
 
 Surface and Volume Properties
  Accessible surface: 563.534  Positive charged surface: 395.218  Negative charged surface: 168.316  Volume: 287.5
  Hydrophobic surface: 345.798  Hydrophilic surface: 217.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.