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PUBCHEM-ZINC06758273

 MMsINC code: MMs03853679
Type: Neutral
Formula: C24H24O4
SMILES:   O(C)c1ccc(cc1)\C=C/C=1CC(C(C(OCC)=O)C(=O)C=1)c1ccccc1
InChI:   InChI=1/C24H24O4/c1-3-28-24(26)23-21(19-7-5-4-6-8-19)15-18(16-22(23)25)10-9-17-11-13-20(27-2)14-12-17/h4-14,16,21,23H,3,15H2,1-2H3/b10-9-/t21-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.32 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.452 g/mol  logS: -5.9283  SlogP: 4.5707  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.251459  Sterimol/B1: 2.3045  Sterimol/B2: 2.86221  Sterimol/B3: 6.99144
  Sterimol/B4: 9.34861  Sterimol/L: 14.7744 
 
 Surface and Volume Properties
  Accessible surface: 643.299  Positive charged surface: 415.517  Negative charged surface: 227.783  Volume: 373.375
  Hydrophobic surface: 565.697  Hydrophilic surface: 77.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.