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CHEMDIV-ZINC03908044

 MMsINC code: MMs00919944
Type: Neutral
Formula: C20H18N2O3
SMILES:   o1nc(cc1-c1ccccc1OC)C(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C20H18N2O3/c1-24-18-9-5-4-8-16(18)19-12-17(21-25-19)20(23)22-11-10-14-6-2-3-7-15(14)13-22/h2-9,12H,10-11,13H2,1H3

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Potential Energy
Epot(MMFF94)=118.9 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.375 g/mol  logS: -4.62162  SlogP: 3.81507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844437  Sterimol/B1: 2.30923  Sterimol/B2: 2.72237  Sterimol/B3: 5.61107
  Sterimol/B4: 6.71081  Sterimol/L: 16.858 
 
 Surface and Volume Properties
  Accessible surface: 588.615  Positive charged surface: 376.284  Negative charged surface: 212.33  Volume: 318.375
  Hydrophobic surface: 530.504  Hydrophilic surface: 58.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.