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CHEMBRIDGE-ZINC01170708

 MMsINC code: MMs00679089
Type: Neutral
Formula: C24H19FN4O2
SMILES:   Fc1ccc(NC(=O)c2cnn(c2NC(=O)c2ccccc2C)-c2ccccc2)cc1
InChI:   InChI=1/C24H19FN4O2/c1-16-7-5-6-10-20(16)23(30)28-22-21(15-26-29(22)19-8-3-2-4-9-19)24(31)27-18-13-11-17(25)12-14-18/h2-15H,1H3,(H,27,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=153.621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.44 g/mol  logS: -6.55893  SlogP: 4.82442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655522  Sterimol/B1: 2.42278  Sterimol/B2: 5.37265  Sterimol/B3: 5.51119
  Sterimol/B4: 7.19022  Sterimol/L: 17.1558 
 
 Surface and Volume Properties
  Accessible surface: 668.663  Positive charged surface: 367.229  Negative charged surface: 301.434  Volume: 385.75
  Hydrophobic surface: 609.736  Hydrophilic surface: 58.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.