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COMGENEX-ZINC06835541

 MMsINC code: MMs01214346
Type: Neutral
Formula: C19H24F2N2O4
SMILES:   Fc1cc(F)ccc1C(=O)N1C(COC12CCCCC2)C(=O)NCCOC
InChI:   InChI=1/C19H24F2N2O4/c1-26-10-9-22-17(24)16-12-27-19(7-3-2-4-8-19)23(16)18(25)14-6-5-13(20)11-15(14)21/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,22,24)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=287.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.407 g/mol  logS: -4.14877  SlogP: 2.2288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.085277  Sterimol/B1: 2.80458  Sterimol/B2: 3.63309  Sterimol/B3: 3.95859
  Sterimol/B4: 8.47811  Sterimol/L: 15.5632 
 
 Surface and Volume Properties
  Accessible surface: 572.306  Positive charged surface: 404.929  Negative charged surface: 167.377  Volume: 335.375
  Hydrophobic surface: 529.263  Hydrophilic surface: 43.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.