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PUBCHEM-ZINC01531701

 MMsINC code: MMs02813446
Type: Neutral
Formula: C30H24O6
SMILES:   O(C)c1cc(O)c(c2c1-c1c(cc(O)cc1)CC2)-c1c2c(c3c(cc(O)cc3)cc2)c
(OC)cc1O
InChI:   InChI=1/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=186.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.516 g/mol  logS: -9.49216  SlogP: 6.26514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220486  Sterimol/B1: 2.34792  Sterimol/B2: 2.89928  Sterimol/B3: 7.56369
  Sterimol/B4: 7.83966  Sterimol/L: 17.1822 
 
 Surface and Volume Properties
  Accessible surface: 730.946  Positive charged surface: 477.918  Negative charged surface: 226.203  Volume: 443.25
  Hydrophobic surface: 554.39  Hydrophilic surface: 176.556
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.