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CHEMBRIDGE-ZINC00752787

 MMsINC code: MMs00643138
Type: Neutral
Formula: C24H19FN4O2
SMILES:   Fc1cc(ccc1)C(=O)Nc1n(ncc1C(=O)NCc1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H19FN4O2/c25-19-11-7-10-18(14-19)23(30)28-22-21(16-27-29(22)20-12-5-2-6-13-20)24(31)26-15-17-8-3-1-4-9-17/h1-14,16H,15H2,(H,26,31)(H,28,30)

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Potential Energy
Epot(MMFF94)=119.709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.44 g/mol  logS: -6.02905  SlogP: 4.4601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558563  Sterimol/B1: 3.59049  Sterimol/B2: 3.84151  Sterimol/B3: 6.02072
  Sterimol/B4: 6.92595  Sterimol/L: 18.0576 
 
 Surface and Volume Properties
  Accessible surface: 687.336  Positive charged surface: 379.153  Negative charged surface: 308.182  Volume: 387.125
  Hydrophobic surface: 613.103  Hydrophilic surface: 74.233
 
 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.