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PUBCHEM-ZINC05963543

 MMsINC code: MMs03463923
Type: Ionized
Formula: C24H25O4-
SMILES:   O1CCOC1(c1ccc(cc1)C(=O)[O-])c1cc2c(cc1)C(C=CC2(C)C)(C)C
InChI:   InChI=1/C24H26O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-12,15H,13-14H2,1-4H3,(H,25,26)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.7767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.46 g/mol  logS: -7.25877  SlogP: 3.7345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217774  Sterimol/B1: 2.05753  Sterimol/B2: 4.1769  Sterimol/B3: 5.04938
  Sterimol/B4: 8.59885  Sterimol/L: 15.6295 
 
 Surface and Volume Properties
  Accessible surface: 635.533  Positive charged surface: 413.802  Negative charged surface: 221.731  Volume: 377.125
  Hydrophobic surface: 468.886  Hydrophilic surface: 166.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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: 1
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Parent related molecule:


MMs03463922
PUBCHEM-ZINC05963543