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PUBCHEM-ZINC06459038

 MMsINC code: MMs03746635
Type: Neutral
Formula: C25H26ClFN2O3
SMILES:   Clc1cc(NCc2cccc(OC)c2OCc2ccccc2F)ccc1N1CCOCC1
InChI:   InChI=1/C25H26ClFN2O3/c1-30-24-8-4-6-18(25(24)32-17-19-5-2-3-7-22(19)27)16-28-20-9-10-23(21(26)15-20)29-11-13-31-14-12-29/h2-10,15,28H,11-14,16-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.945 g/mol  logS: -6.06606  SlogP: 6.0482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649267  Sterimol/B1: 3.30464  Sterimol/B2: 5.45897  Sterimol/B3: 5.69946
  Sterimol/B4: 7.54108  Sterimol/L: 18.3882 
 
 Surface and Volume Properties
  Accessible surface: 743.927  Positive charged surface: 489.508  Negative charged surface: 254.419  Volume: 427
  Hydrophobic surface: 699.025  Hydrophilic surface: 44.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.