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ENAMINE-ZINC03343822

 MMsINC code: MMs01384815
Type: Neutral
Formula: C24H22F2N2O5
SMILES:   Fc1cc(NC(=O)c2cc(OC)c(OCC(=O)Nc3ccc(OCC)cc3)cc2)ccc1F
InChI:   InChI=1/C24H22F2N2O5/c1-3-32-18-8-5-16(6-9-18)27-23(29)14-33-21-11-4-15(12-22(21)31-2)24(30)28-17-7-10-19(25)20(26)13-17/h4-13H,3,14H2,1-2H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.445 g/mol  logS: -6.41961  SlogP: 4.6419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00796457  Sterimol/B1: 2.89786  Sterimol/B2: 2.99021  Sterimol/B3: 4.57107
  Sterimol/B4: 6.7275  Sterimol/L: 26.1698 
 
 Surface and Volume Properties
  Accessible surface: 773.457  Positive charged surface: 476.311  Negative charged surface: 297.146  Volume: 409.625
  Hydrophobic surface: 642.331  Hydrophilic surface: 131.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.