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ENAMINE-ZINC03337415

 MMsINC code: MMs01380770
Type: Neutral
Formula: C26H26F3NO
SMILES:   FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NC(C)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C26H26F3NO/c1-17(2)16-19-8-10-20(11-9-19)18(3)30-25(31)24-7-5-4-6-23(24)21-12-14-22(15-13-21)26(27,28)29/h4-15,17-18H,16H2,1-3H3,(H,30,31)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.494 g/mol  logS: -9.12863  SlogP: 7.46887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775093  Sterimol/B1: 2.7223  Sterimol/B2: 5.41873  Sterimol/B3: 5.99232
  Sterimol/B4: 6.77224  Sterimol/L: 18.7899 
 
 Surface and Volume Properties
  Accessible surface: 716.294  Positive charged surface: 383.112  Negative charged surface: 331.121  Volume: 409.875
  Hydrophobic surface: 543.462  Hydrophilic surface: 172.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.