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IBS-ZINC05248521

 MMsINC code: MMs01934422
Type: Neutral
Formula: C23H20N2O2
SMILES:   O(Cc1ccccc1)c1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccccc1
InChI:   InChI=1/C23H20N2O2/c1-16-22(18-10-6-3-7-11-18)23(25-24-16)20-13-12-19(14-21(20)26)27-15-17-8-4-2-5-9-17/h2-14,26H,15H2,1H3,(H,24,25)

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Potential Energy
Epot(MMFF94)=105.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.425 g/mol  logS: -6.4122  SlogP: 5.60312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624651  Sterimol/B1: 3.14492  Sterimol/B2: 4.07492  Sterimol/B3: 4.49662
  Sterimol/B4: 6.60505  Sterimol/L: 18.6148 
 
 Surface and Volume Properties
  Accessible surface: 638.583  Positive charged surface: 381.906  Negative charged surface: 256.677  Volume: 354.5
  Hydrophobic surface: 525.719  Hydrophilic surface: 112.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.