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CHEMDIV-ZINC02395607

 MMsINC code: MMs00875000
Type: Neutral
Formula: C28H27FN2O4
SMILES:   Fc1ccc(cc1)COc1cc(O)c(cc1CC)-c1[nH]nc(C)c1-c1cc2OCCCOc2cc1
InChI:   InChI=1/C28H27FN2O4/c1-3-19-13-22(23(32)15-25(19)35-16-18-5-8-21(29)9-6-18)28-27(17(2)30-31-28)20-7-10-24-26(14-20)34-12-4-11-33-24/h5-10,13-15,32H,3-4,11-12,16H2,1-2H3,(H,30,31)

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Potential Energy
Epot(MMFF94)=131.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.532 g/mol  logS: -7.83424  SlogP: 6.46589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825239  Sterimol/B1: 2.87443  Sterimol/B2: 3.17983  Sterimol/B3: 5.63566
  Sterimol/B4: 9.10381  Sterimol/L: 18.724 
 
 Surface and Volume Properties
  Accessible surface: 777.444  Positive charged surface: 519.035  Negative charged surface: 258.409  Volume: 449.25
  Hydrophobic surface: 639.11  Hydrophilic surface: 138.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.