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CHEMDIV-ZINC04757171

 MMsINC code: MMs00947116
Type: Neutral
Formula: C26H24F2N2O3
SMILES:   Fc1ccc(cc1)C1N(C(=O)CCC1C(=O)NCc1ccc(F)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C26H24F2N2O3/c1-33-22-12-10-21(11-13-22)30-24(31)15-14-23(25(30)18-4-8-20(28)9-5-18)26(32)29-16-17-2-6-19(27)7-3-17/h2-13,23,25H,14-16H2,1H3,(H,29,32)/t23-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=171.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 450.485 g/mol  logS: -5.8187  SlogP: 5.136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970636  Sterimol/B1: 2.41723  Sterimol/B2: 4.31767  Sterimol/B3: 5.53885
  Sterimol/B4: 7.59423  Sterimol/L: 19.1311 
 
 Surface and Volume Properties
  Accessible surface: 676.608  Positive charged surface: 397.793  Negative charged surface: 278.815  Volume: 410.375
  Hydrophobic surface: 614.31  Hydrophilic surface: 62.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.