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CHEMDIV-ZINC02724191

 MMsINC code: MMs00886895
Type: Neutral
Formula: C23H18F2N2O2
SMILES:   Fc1ccc(cc1)C1N(CC(=O)Nc2c1cc(cc2)C)C(=O)c1ccc(F)cc1
InChI:   InChI=1/C23H18F2N2O2/c1-14-2-11-20-19(12-14)22(15-3-7-17(24)8-4-15)27(13-21(28)26-20)23(29)16-5-9-18(25)10-6-16/h2-12,22H,13H2,1H3,(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=164.879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.405 g/mol  logS: -6.37563  SlogP: 4.55262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.479958  Sterimol/B1: 2.44013  Sterimol/B2: 4.1012  Sterimol/B3: 6.72563
  Sterimol/B4: 8.78749  Sterimol/L: 13.0331 
 
 Surface and Volume Properties
  Accessible surface: 583.296  Positive charged surface: 285.362  Negative charged surface: 297.934  Volume: 349.75
  Hydrophobic surface: 485.64  Hydrophilic surface: 97.656
 
 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.