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PUBCHEM-ZINC03804595

 MMsINC code: MMs03076804
Type: Neutral
Formula: C25H26O3
SMILES:   O1c2cc(CCCOc3ccccc3)c(O)cc2CC1CCc1ccccc1
InChI:   InChI=1/C25H26O3/c26-24-17-21-16-23(14-13-19-8-3-1-4-9-19)28-25(21)18-20(24)10-7-15-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,17-18,23,26H,7,10,13-16H2/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.0618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.48 g/mol  logS: -5.36984  SlogP: 5.34001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296426  Sterimol/B1: 3.05478  Sterimol/B2: 3.33785  Sterimol/B3: 3.9235
  Sterimol/B4: 7.85212  Sterimol/L: 23.0483 
 
 Surface and Volume Properties
  Accessible surface: 715.321  Positive charged surface: 452.68  Negative charged surface: 262.641  Volume: 387.875
  Hydrophobic surface: 663.505  Hydrophilic surface: 51.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.