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ASINEX-ZINC01380987

 MMsINC code: MMs00252863
Type: Neutral
Formula: C15H21NO4
SMILES:   o1cccc1C(OC(C(C)C)C(=O)NC1CCCC1)=O
InChI:   InChI=1/C15H21NO4/c1-10(2)13(14(17)16-11-6-3-4-7-11)20-15(18)12-8-5-9-19-12/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=52.0029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.336 g/mol  logS: -3.37742  SlogP: 2.5198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0872743  Sterimol/B1: 2.55037  Sterimol/B2: 2.64953  Sterimol/B3: 4.35436
  Sterimol/B4: 6.48492  Sterimol/L: 16.1932 
 
 Surface and Volume Properties
  Accessible surface: 535.253  Positive charged surface: 339.861  Negative charged surface: 195.391  Volume: 276.5
  Hydrophobic surface: 432.5  Hydrophilic surface: 102.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.