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CHEMBRIDGE-ZINC04990114

 MMsINC code: MMs00822401
Type: Neutral
Formula: C26H37NO3
SMILES:   O(C)c1cc2CCN(Cc2cc1OC)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C
InChI:   InChI=1/C26H37NO3/c1-25(2,3)20-11-17(12-21(24(20)28)26(4,5)6)15-27-10-9-18-13-22(29-7)23(30-8)14-19(18)16-27/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)=157.693 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.586 g/mol  logS: -6.35917  SlogP: 6.09547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15251  Sterimol/B1: 2.1754  Sterimol/B2: 3.78817  Sterimol/B3: 5.4432
  Sterimol/B4: 9.38006  Sterimol/L: 17.1342 
 
 Surface and Volume Properties
  Accessible surface: 716.087  Positive charged surface: 545.486  Negative charged surface: 170.601  Volume: 433.5
  Hydrophobic surface: 576.679  Hydrophilic surface: 139.408
 
 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


MMs00822402
CHEMBRIDGE-ZINC04990114