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CHEMDIV-ZINC01461330

 MMsINC code: MMs00866323
Type: Neutral
Formula: C23H24O4
SMILES:   O1c2cc(ccc2OC1)C(CC(=O)c1ccccc1)C1CC(CCC1=O)C
InChI:   InChI=1/C23H24O4/c1-15-7-9-20(24)19(11-15)18(13-21(25)16-5-3-2-4-6-16)17-8-10-22-23(12-17)27-14-26-22/h2-6,8,10,12,15,18-19H,7,9,11,13-14H2,1H3/t15-,18+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.441 g/mol  logS: -4.78331  SlogP: 4.7772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131983  Sterimol/B1: 3.09774  Sterimol/B2: 3.50963  Sterimol/B3: 4.78896
  Sterimol/B4: 10.2104  Sterimol/L: 14.9904 
 
 Surface and Volume Properties
  Accessible surface: 616.684  Positive charged surface: 404.23  Negative charged surface: 212.454  Volume: 356.125
  Hydrophobic surface: 502.395  Hydrophilic surface: 114.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.