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CHEMBRIDGE-ZINC04525893

MMsINC code: MMs00770724

Type: Neutral
Formula: C24H18O4
SMILES:   O=C1c2c(cc(cc2)C(OC(C(=O)c2ccccc2)CC)=O)-c2c1cccc2
InChI:   InChI=1/C24H18O4/c1-2-21(22(25)15-8-4-3-5-9-15)28-24(27)16-12-13-19-20(14-16)17-10-6-7-11-18(17)23(19)26/h3-14,21H,2H2,1H3/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=118.498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.404 g/mol  logS: -7.24853  SlogP: 4.7163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521137  Sterimol/B1: 2.47479  Sterimol/B2: 2.72114  Sterimol/B3: 5.70882
  Sterimol/B4: 6.59166  Sterimol/L: 19.891 
 
 Surface and Volume Properties
  Accessible surface: 637.573  Positive charged surface: 327.786  Negative charged surface: 298.701  Volume: 356.125
  Hydrophobic surface: 518.818  Hydrophilic surface: 118.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.