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ASINEX-ZINC01381004

 MMsINC code: MMs00252880
Type: Neutral
Formula: C16H23NO4
SMILES:   o1cccc1C(OC(CC(C)C)C(=O)NC1CCCC1)=O
InChI:   InChI=1/C16H23NO4/c1-11(2)10-14(15(18)17-12-6-3-4-7-12)21-16(19)13-8-5-9-20-13/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3,(H,17,18)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=61.8944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.363 g/mol  logS: -4.20609  SlogP: 2.9099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906458  Sterimol/B1: 2.20159  Sterimol/B2: 2.90767  Sterimol/B3: 4.90073
  Sterimol/B4: 7.44774  Sterimol/L: 16.3252 
 
 Surface and Volume Properties
  Accessible surface: 568.393  Positive charged surface: 365.151  Negative charged surface: 203.243  Volume: 295.625
  Hydrophobic surface: 458.801  Hydrophilic surface: 109.592
 
 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.