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CHEMDIV-ZINC02494101

 MMsINC code: MMs00881542
Type: Neutral
Formula: C24H20F2N2O2
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(F)cc2)C(=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C24H20F2N2O2/c1-14-9-15(2)11-17(10-14)24(30)28-13-22(29)27-21-8-7-19(26)12-20(21)23(28)16-3-5-18(25)6-4-16/h3-12,23H,13H2,1-2H3,(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.432 g/mol  logS: -6.84955  SlogP: 4.86104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.306831  Sterimol/B1: 3.61248  Sterimol/B2: 4.99655  Sterimol/B3: 5.30823
  Sterimol/B4: 7.80503  Sterimol/L: 13.8452 
 
 Surface and Volume Properties
  Accessible surface: 605.455  Positive charged surface: 303.768  Negative charged surface: 301.687  Volume: 367.75
  Hydrophobic surface: 507.956  Hydrophilic surface: 97.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.