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NCID-ZINC05842167

 MMsINC code: MMs02505883
Type: Neutral
Formula: C30H30O8
SMILES:   Oc1c(O)c(c2c(c1C(=O)C)c(O)c(-c1c(cc3c(c(C(=O)C)c(O)c(O)c3CC)
c1O)C)c(c2)C)CC
InChI:   InChI=1/C30H30O8/c1-7-15-17-9-11(3)19(27(35)23(17)21(13(5)31)29(37)25(15)33)20-12(4)10-18-16(8-2)26(34)30(38)22(14(6)32)24(18)28(20)36/h9-10,33-38H,7-8H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=194.05 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.562 g/mol  logS: -8.31908  SlogP: 6.04038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179862  Sterimol/B1: 2.89761  Sterimol/B2: 4.02699  Sterimol/B3: 6.08962
  Sterimol/B4: 8.42541  Sterimol/L: 17.6034 
 
 Surface and Volume Properties
  Accessible surface: 755.486  Positive charged surface: 450.999  Negative charged surface: 288.055  Volume: 480.5
  Hydrophobic surface: 474.13  Hydrophilic surface: 281.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 3  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.