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PUBCHEM-ZINC03748303

 MMsINC code: MMs03068783
Type: Neutral
Formula: C19H26N2O3
SMILES:   O(C)c1c(cc(cc1C(C)(C)C)-c1n[nH]c(c1)C(O)=O)C(C)(C)C
InChI:   InChI=1/C19H26N2O3/c1-18(2,3)12-8-11(14-10-15(17(22)23)21-20-14)9-13(16(12)24-7)19(4,5)6/h8-10H,1-7H3,(H,20,21)(H,22,23)

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Potential Energy
Epot(MMFF94)=137.295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.428 g/mol  logS: -5.80106  SlogP: 4.3785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939404  Sterimol/B1: 2.30669  Sterimol/B2: 3.53089  Sterimol/B3: 3.6622
  Sterimol/B4: 9.71588  Sterimol/L: 15.3055 
 
 Surface and Volume Properties
  Accessible surface: 566.156  Positive charged surface: 368.237  Negative charged surface: 197.919  Volume: 329.375
  Hydrophobic surface: 309.162  Hydrophilic surface: 256.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03068784
PUBCHEM-ZINC03748303