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CHEMBRIDGE-ZINC01104441

 MMsINC code: MMs00660595
Type: Neutral
Formula: C24H19FN4O3
SMILES:   Fc1ccccc1C(=O)Nc1n(ncc1C(=O)Nc1ccc(OC)cc1)-c1ccccc1
InChI:   InChI=1/C24H19FN4O3/c1-32-18-13-11-16(12-14-18)27-24(31)20-15-26-29(17-7-3-2-4-8-17)22(20)28-23(30)19-9-5-6-10-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=153.821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.439 g/mol  logS: -6.13539  SlogP: 4.5246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505531  Sterimol/B1: 2.87445  Sterimol/B2: 4.45483  Sterimol/B3: 6.0634
  Sterimol/B4: 7.02456  Sterimol/L: 18.916 
 
 Surface and Volume Properties
  Accessible surface: 693.783  Positive charged surface: 412.155  Negative charged surface: 281.628  Volume: 393.625
  Hydrophobic surface: 618.868  Hydrophilic surface: 74.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.