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CHEMBRIDGE-ZINC01770180

 MMsINC code: MMs00695872
Type: Neutral
Formula: C24H26O7
SMILES:   O1C=C(Oc2cc(cc(c2)C)C)C(=O)c2c1cc(OC(C(OCCOCC)=O)C)cc2
InChI:   InChI=1/C24H26O7/c1-5-27-8-9-28-24(26)17(4)30-18-6-7-20-21(13-18)29-14-22(23(20)25)31-19-11-15(2)10-16(3)12-19/h6-7,10-14,17H,5,8-9H2,1-4H3/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.465 g/mol  logS: -6.50398  SlogP: 4.14594  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0427649  Sterimol/B1: 2.70299  Sterimol/B2: 3.41543  Sterimol/B3: 5.61939
  Sterimol/B4: 7.20694  Sterimol/L: 22.8829 
 
 Surface and Volume Properties
  Accessible surface: 774.834  Positive charged surface: 503.941  Negative charged surface: 270.893  Volume: 406.625
  Hydrophobic surface: 645.656  Hydrophilic surface: 129.178
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.