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NCID-ZINC05341242

 MMsINC code: MMs02453575
Type: Neutral
Formula: C13H23NO4
SMILES:   O1C2C(OC(OC2)(C)C)C(C)C(NC(=O)C)C1C
InChI:   InChI=1/C13H23NO4/c1-7-11(14-9(3)15)8(2)17-10-6-16-13(4,5)18-12(7)10/h7-8,10-12H,6H2,1-5H3,(H,14,15)/t7-,8+,10+,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=69.8393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -1.9372  SlogP: 1.066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130874  Sterimol/B1: 2.26927  Sterimol/B2: 2.29673  Sterimol/B3: 4.71484
  Sterimol/B4: 5.66551  Sterimol/L: 14.1709 
 
 Surface and Volume Properties
  Accessible surface: 477.175  Positive charged surface: 333.658  Negative charged surface: 143.518  Volume: 252.125
  Hydrophobic surface: 345.049  Hydrophilic surface: 132.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.