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NCID-ZINC05341374

 MMsINC code: MMs02453681
Type: Neutral
Formula: C14H25NO4
SMILES:   O1C2C(COC(OC2)(C)C)C(C)C(NC(=O)C)C1C
InChI:   InChI=1/C14H25NO4/c1-8-11-6-17-14(4,5)18-7-12(11)19-9(2)13(8)15-10(3)16/h8-9,11-13H,6-7H2,1-5H3,(H,15,16)/t8-,9-,11-,12+,13-/m1/s1

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Potential Energy
Epot(MMFF94)=134.331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -2.01353  SlogP: 1.3136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18125  Sterimol/B1: 2.11994  Sterimol/B2: 2.72323  Sterimol/B3: 4.6073
  Sterimol/B4: 7.22703  Sterimol/L: 13.917 
 
 Surface and Volume Properties
  Accessible surface: 484.308  Positive charged surface: 345.601  Negative charged surface: 138.708  Volume: 268.125
  Hydrophobic surface: 360.496  Hydrophilic surface: 123.812
 
 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.