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CHEMBRIDGE-ZINC04989080

 MMsINC code: MMs00821218
Type: Neutral
Formula: C26H37NO3
SMILES:   O(C)c1cc2CCN(Cc2cc1OC)Cc1cc(cc(C(C)(C)C)c1O)C(C)(C)C
InChI:   InChI=1/C26H37NO3/c1-25(2,3)20-11-19(24(28)21(14-20)26(4,5)6)16-27-10-9-17-12-22(29-7)23(30-8)13-18(17)15-27/h11-14,28H,9-10,15-16H2,1-8H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.586 g/mol  logS: -6.67262  SlogP: 6.09547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176441  Sterimol/B1: 2.51573  Sterimol/B2: 3.15456  Sterimol/B3: 5.80826
  Sterimol/B4: 8.86996  Sterimol/L: 16.6325 
 
 Surface and Volume Properties
  Accessible surface: 724.902  Positive charged surface: 554.532  Negative charged surface: 170.37  Volume: 434.25
  Hydrophobic surface: 574.989  Hydrophilic surface: 149.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules


MMs00821219
CHEMBRIDGE-ZINC04989080