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PUBCHEM-ZINC03280771

 MMsINC code: MMs03010886
Type: Neutral
Formula: C25H21F3N2O4
SMILES:   FC(F)(F)c1cc(Nc2ccccc2C(OC(C(=O)Nc2ccc(cc2)C(=O)C)C)=O)ccc1
InChI:   InChI=1/C25H21F3N2O4/c1-15(31)17-10-12-19(13-11-17)30-23(32)16(2)34-24(33)21-8-3-4-9-22(21)29-20-7-5-6-18(14-20)25(26,27)28/h3-14,16,29H,1-2H3,(H,30,32)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.447 g/mol  logS: -7.07939  SlogP: 6.1471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879334  Sterimol/B1: 1.969  Sterimol/B2: 6.23525  Sterimol/B3: 7.08119
  Sterimol/B4: 7.6952  Sterimol/L: 19.2266 
 
 Surface and Volume Properties
  Accessible surface: 758.172  Positive charged surface: 380.03  Negative charged surface: 378.141  Volume: 416.75
  Hydrophobic surface: 525.838  Hydrophilic surface: 232.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.