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CHEMDIV-ZINC05343876

 MMsINC code: MMs00995821
Type: Neutral
Formula: C24H18FN3O3
SMILES:   Fc1ccc(cc1)CN1C(c2c([nH]nc2-c2ccccc2O)C1=O)c1ccc(O)cc1
InChI:   InChI=1/C24H18FN3O3/c25-16-9-5-14(6-10-16)13-28-23(15-7-11-17(29)12-8-15)20-21(26-27-22(20)24(28)31)18-3-1-2-4-19(18)30/h1-12,23,29-30H,13H2,(H,26,27)/t23-/m1/s1

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Potential Energy
Epot(MMFF94)=102.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.424 g/mol  logS: -5.63844  SlogP: 4.7343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.262994  Sterimol/B1: 2.53819  Sterimol/B2: 3.05635  Sterimol/B3: 7.10942
  Sterimol/B4: 8.19953  Sterimol/L: 15.5975 
 
 Surface and Volume Properties
  Accessible surface: 642.645  Positive charged surface: 360.393  Negative charged surface: 282.252  Volume: 375.5
  Hydrophobic surface: 448.934  Hydrophilic surface: 193.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.