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IBS-ZINC05185903

 MMsINC code: MMs01928311
Type: Neutral
Formula: C24H22N2O2
SMILES:   O(Cc1ccccc1C)c1cc(O)c(cc1)-c1n[nH]c(C)c1-c1ccccc1
InChI:   InChI=1/C24H22N2O2/c1-16-8-6-7-11-19(16)15-28-20-12-13-21(22(27)14-20)24-23(17(2)25-26-24)18-9-4-3-5-10-18/h3-14,27H,15H2,1-2H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=108.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.452 g/mol  logS: -6.88612  SlogP: 5.91154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557482  Sterimol/B1: 2.55967  Sterimol/B2: 3.76706  Sterimol/B3: 5.73463
  Sterimol/B4: 7.67115  Sterimol/L: 18.7161 
 
 Surface and Volume Properties
  Accessible surface: 654.337  Positive charged surface: 393.403  Negative charged surface: 260.934  Volume: 370.875
  Hydrophobic surface: 546.739  Hydrophilic surface: 107.598
 
 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.