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CHEMBRIDGE-ZINC04754883

 MMsINC code: MMs00784476
Type: Neutral
Formula: C25H23FN2O2
SMILES:   Fc1ccc(cc1)-c1c(n[nH]c1C)-c1cc(CC)c(OCc2ccccc2)cc1O
InChI:   InChI=1/C25H23FN2O2/c1-3-18-13-21(22(29)14-23(18)30-15-17-7-5-4-6-8-17)25-24(16(2)27-28-25)19-9-11-20(26)12-10-19/h4-14,29H,3,15H2,1-2H3,(H,27,28)

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Potential Energy
Epot(MMFF94)=105.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.469 g/mol  logS: -7.38287  SlogP: 6.30459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104068  Sterimol/B1: 2.06737  Sterimol/B2: 4.88235  Sterimol/B3: 6.53077
  Sterimol/B4: 7.27018  Sterimol/L: 18.5207 
 
 Surface and Volume Properties
  Accessible surface: 685.194  Positive charged surface: 412.57  Negative charged surface: 272.624  Volume: 393.625
  Hydrophobic surface: 556.346  Hydrophilic surface: 128.848
 
 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.