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PUBCHEM-ZINC02609760

 MMsINC code: MMs02906799
Type: Neutral
Formula: C27H30O4
SMILES:   O(Cc1ccccc1)c1ccc(OC(=O)CCCOc2cc(C)c(cc2)C(C)C)cc1
InChI:   InChI=1/C27H30O4/c1-20(2)26-16-15-25(18-21(26)3)29-17-7-10-27(28)31-24-13-11-23(12-14-24)30-19-22-8-5-4-6-9-22/h4-6,8-9,11-16,18,20H,7,10,17,19H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.533 g/mol  logS: -7.45601  SlogP: 6.72842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161585  Sterimol/B1: 2.33318  Sterimol/B2: 3.69229  Sterimol/B3: 3.97659
  Sterimol/B4: 6.33794  Sterimol/L: 26.5731 
 
 Surface and Volume Properties
  Accessible surface: 796.395  Positive charged surface: 498.585  Negative charged surface: 297.811  Volume: 430.875
  Hydrophobic surface: 709.305  Hydrophilic surface: 87.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.