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CHEMBRIDGE-ZINC02845150

 MMsINC code: MMs00725410
Type: Neutral
Formula: C25H26F2N4O4
SMILES:   Fc1c(N(CC)CC)c(F)c(Oc2ccc(NC(=O)C)cc2)nc1Oc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C25H26F2N4O4/c1-5-31(6-2)23-21(26)24(34-19-11-7-17(8-12-19)28-15(3)32)30-25(22(23)27)35-20-13-9-18(10-14-20)29-16(4)33/h7-14H,5-6H2,1-4H3,(H,28,32)(H,29,33)

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Potential Energy
Epot(MMFF94)=222.379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.503 g/mol  logS: -5.90537  SlogP: 5.7074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611258  Sterimol/B1: 2.71446  Sterimol/B2: 5.02823  Sterimol/B3: 5.60439
  Sterimol/B4: 6.04205  Sterimol/L: 17.9771 
 
 Surface and Volume Properties
  Accessible surface: 698.038  Positive charged surface: 424.208  Negative charged surface: 273.83  Volume: 436.25
  Hydrophobic surface: 561.154  Hydrophilic surface: 136.884
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.