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ASINEX-ZINC00248267

 MMsINC code: MMs00099005
Type: Neutral
Formula: C14H19NO4
SMILES:   o1nc2c(C(=O)C(C(OC)=O)C(C2)(C)C)c1CCC
InChI:   InChI=1/C14H19NO4/c1-5-6-9-10-8(15-19-9)7-14(2,3)11(12(10)16)13(17)18-4/h11H,5-7H2,1-4H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=52.8748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.309 g/mol  logS: -3.10017  SlogP: 2.18124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136976  Sterimol/B1: 2.76171  Sterimol/B2: 4.58294  Sterimol/B3: 5.29516
  Sterimol/B4: 5.30084  Sterimol/L: 13.7351 
 
 Surface and Volume Properties
  Accessible surface: 480.516  Positive charged surface: 328.173  Negative charged surface: 152.343  Volume: 254.375
  Hydrophobic surface: 348.241  Hydrophilic surface: 132.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.