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PUBCHEM-ZINC05599677

 MMsINC code: MMs03319682
Type: Neutral
Formula: C24H27NO2
SMILES:   O(CCCN(C)C)c1ccccc1C(O)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H27NO2/c1-25(2)18-11-19-27-23-17-10-9-16-22(23)24(26,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-10,12-17,26H,11,18-19H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.65 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.485 g/mol  logS: -4.84174  SlogP: 4.6128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173508  Sterimol/B1: 2.53319  Sterimol/B2: 5.03372  Sterimol/B3: 6.21693
  Sterimol/B4: 6.94633  Sterimol/L: 16.7282 
 
 Surface and Volume Properties
  Accessible surface: 648.387  Positive charged surface: 444.328  Negative charged surface: 204.059  Volume: 378.875
  Hydrophobic surface: 630.829  Hydrophilic surface: 17.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules


MMs03319683
PUBCHEM-ZINC05599677