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CHEMDIV-ZINC03038204

 MMsINC code: MMs00906452
Type: Neutral
Formula: C35H26FN3O3
SMILES:   Fc1ccc(Oc2cc(NC(=O)c3c(nn(c3C)-c3ccccc3)-c3ccccc3)cc(Oc3cccc
c3)c2)cc1
InChI:   InChI=1/C35H26FN3O3/c1-24-33(34(25-11-5-2-6-12-25)38-39(24)28-13-7-3-8-14-28)35(40)37-27-21-31(41-29-15-9-4-10-16-29)23-32(22-27)42-30-19-17-26(36)18-20-30/h2-23H,1H3,(H,37,40)

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Potential Energy
Epot(MMFF94)=185.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 555.609 g/mol  logS: -10.0778  SlogP: 8.82372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221676  Sterimol/B1: 3.558  Sterimol/B2: 6.92984  Sterimol/B3: 8.60702
  Sterimol/B4: 9.39988  Sterimol/L: 18.5726 
 
 Surface and Volume Properties
  Accessible surface: 886.711  Positive charged surface: 458.54  Negative charged surface: 428.171  Volume: 527.125
  Hydrophobic surface: 838.089  Hydrophilic surface: 48.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.