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MAYBRIDGE-ZINC04343937

 MMsINC code: MMs02169588
Type: Neutral
Formula: C28H42O
SMILES:   O(c1ccc(cc1C(C)(C)C)C(C)(C)C)c1ccc(cc1C(C)(C)C)C(C)(C)C
InChI:   InChI=1/C28H42O/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)29-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.643 g/mol  logS: -10.619  SlogP: 8.6689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166129  Sterimol/B1: 2.80748  Sterimol/B2: 3.66646  Sterimol/B3: 6.76148
  Sterimol/B4: 7.71221  Sterimol/L: 16.316 
 
 Surface and Volume Properties
  Accessible surface: 681.798  Positive charged surface: 474.447  Negative charged surface: 207.351  Volume: 447.75
  Hydrophobic surface: 507.665  Hydrophilic surface: 174.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.