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IBS-ZINC02226225

 MMsINC code: MMs01808626
Type: Neutral
Formula: C23H27NO2
SMILES:   o1nc(cc1-c1ccccc1)-c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C
InChI:   InChI=1/C23H27NO2/c1-22(2,3)17-12-16(13-18(21(17)25)23(4,5)6)19-14-20(26-24-19)15-10-8-7-9-11-15/h7-14,25H,1-6H3

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Potential Energy
Epot(MMFF94)=132.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.474 g/mol  logS: -7.8719  SlogP: 6.3092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468577  Sterimol/B1: 2.23785  Sterimol/B2: 3.6163  Sterimol/B3: 3.6358
  Sterimol/B4: 9.59525  Sterimol/L: 16.8375 
 
 Surface and Volume Properties
  Accessible surface: 629.241  Positive charged surface: 375.42  Negative charged surface: 253.821  Volume: 363.25
  Hydrophobic surface: 486.86  Hydrophilic surface: 142.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.