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CHEMBRIDGE-ZINC01776612

 MMsINC code: MMs00696569
Type: Neutral
Formula: C34H24O4
SMILES:   O1c2cc(OC(=O)C(C(c3ccccc3)c3ccccc3)c3ccccc3)ccc2-c2c(cccc2)C
1=O
InChI:   InChI=1/C34H24O4/c35-33-29-19-11-10-18-27(29)28-21-20-26(22-30(28)38-33)37-34(36)32(25-16-8-3-9-17-25)31(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22,31-32H/t32-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.562 g/mol  logS: -10.2135  SlogP: 7.4075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781267  Sterimol/B1: 3.87798  Sterimol/B2: 4.14847  Sterimol/B3: 6.75876
  Sterimol/B4: 7.20936  Sterimol/L: 20.5472 
 
 Surface and Volume Properties
  Accessible surface: 786.835  Positive charged surface: 421.61  Negative charged surface: 355.203  Volume: 479.5
  Hydrophobic surface: 712.637  Hydrophilic surface: 74.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.