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CHEMDIV-ZINC00091261

 MMsINC code: MMs00832024
Type: Neutral
Formula: C23H20N2O
SMILES:   Oc1ccc(cc1)-c1[nH]c(c(n1)-c1cc(ccc1C)C)-c1ccccc1
InChI:   InChI=1/C23H20N2O/c1-15-8-9-16(2)20(14-15)22-21(17-6-4-3-5-7-17)24-23(25-22)18-10-12-19(26)13-11-18/h3-14,26H,1-2H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=84.3601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.426 g/mol  logS: -8.05101  SlogP: 5.73314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820445  Sterimol/B1: 2.48183  Sterimol/B2: 4.38309  Sterimol/B3: 5.74037
  Sterimol/B4: 7.51608  Sterimol/L: 16.485 
 
 Surface and Volume Properties
  Accessible surface: 612.355  Positive charged surface: 358.56  Negative charged surface: 253.795  Volume: 345.875
  Hydrophobic surface: 543.627  Hydrophilic surface: 68.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.