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PUBCHEM-ZINC02609593

 MMsINC code: MMs02906684
Type: Neutral
Formula: C24H33NO4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)CCCOc1cc(C)c(cc1)C(C)C
InChI:   InChI=1/C24H33NO4/c1-17(2)21-10-9-20(15-18(21)3)29-14-6-7-24(26)25-13-12-19-8-11-22(27-4)23(16-19)28-5/h8-11,15-17H,6-7,12-14H2,1-5H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.531 g/mol  logS: -5.59993  SlogP: 4.65349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0323258  Sterimol/B1: 2.20471  Sterimol/B2: 3.36321  Sterimol/B3: 6.06349
  Sterimol/B4: 6.09146  Sterimol/L: 24.8407 
 
 Surface and Volume Properties
  Accessible surface: 777.797  Positive charged surface: 581.84  Negative charged surface: 195.957  Volume: 416.75
  Hydrophobic surface: 665.069  Hydrophilic surface: 112.728
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.