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CHEMBRIDGE-ZINC04989084

 MMsINC code: MMs00821228
Type: Neutral
Formula: C26H31NO4
SMILES:   O(Cc1ccccc1)c1cc(ccc1OC)CN(CCc1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C26H31NO4/c1-27(15-14-20-10-12-23(28-2)25(16-20)30-4)18-22-11-13-24(29-3)26(17-22)31-19-21-8-6-5-7-9-21/h5-13,16-17H,14-15,18-19H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.537 g/mol  logS: -5.05512  SlogP: 5.49867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316704  Sterimol/B1: 2.90006  Sterimol/B2: 4.43704  Sterimol/B3: 5.8382
  Sterimol/B4: 6.85809  Sterimol/L: 22.1044 
 
 Surface and Volume Properties
  Accessible surface: 787.956  Positive charged surface: 587.966  Negative charged surface: 199.991  Volume: 434.375
  Hydrophobic surface: 747.65  Hydrophilic surface: 40.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules


MMs00821229
CHEMBRIDGE-ZINC04989084