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SYNCHEM-ZINC02563707

 MMsINC code: MMs03944162
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(Cc1ccccc1)c1cc(cc(OCc2ccccc2)c1)C1NCCNC1
InChI:   InChI=1/C24H26N2O2/c1-3-7-19(8-4-1)17-27-22-13-21(24-16-25-11-12-26-24)14-23(15-22)28-18-20-9-5-2-6-10-20/h1-10,13-15,24-26H,11-12,16-18H2/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.67772  SlogP: 4.7068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0940997  Sterimol/B1: 3.63077  Sterimol/B2: 3.69609  Sterimol/B3: 4.35159
  Sterimol/B4: 11.1815  Sterimol/L: 17.0117 
 
 Surface and Volume Properties
  Accessible surface: 708.544  Positive charged surface: 460.996  Negative charged surface: 247.548  Volume: 383
  Hydrophobic surface: 645.736  Hydrophilic surface: 62.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03944163
SYNCHEM-ZINC02563707