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CHEMDIV-ZINC01913325

 MMsINC code: MMs00869404
Type: Neutral
Formula: C24H26F3NO4
SMILES:   FC(F)(F)C=1Oc2c(ccc(O)c2CN(CCC)CCC)C(=O)C=1c1ccccc1OC
InChI:   InChI=1/C24H26F3NO4/c1-4-12-28(13-5-2)14-17-18(29)11-10-16-21(30)20(15-8-6-7-9-19(15)31-3)23(24(25,26)27)32-22(16)17/h6-11,29H,4-5,12-14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.469 g/mol  logS: -6.25891  SlogP: 6.2578  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.091569  Sterimol/B1: 4.1782  Sterimol/B2: 4.78505  Sterimol/B3: 5.26333
  Sterimol/B4: 7.64126  Sterimol/L: 17.4451 
 
 Surface and Volume Properties
  Accessible surface: 688.769  Positive charged surface: 433.176  Negative charged surface: 255.593  Volume: 405.875
  Hydrophobic surface: 509.6  Hydrophilic surface: 179.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules


MMs00869405
CHEMDIV-ZINC01913325