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FDA-ZINC03775575

 MMsINC code: MMs01725859
Type: Neutral
Formula: C30H30O8
SMILES:   Oc1c(O)c(c2c(cc(C)c(-c3c(cc4c(c(C=O)c(O)c(O)c4C(C)C)c3O)C)c2
O)c1C(C)C)C=O
InChI:   InChI=1/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=248.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 518.562 g/mol  logS: -8.7372  SlogP: 6.38224  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12492  Sterimol/B1: 2.43509  Sterimol/B2: 3.13972  Sterimol/B3: 6.89913
  Sterimol/B4: 6.96753  Sterimol/L: 17.5843 
 
 Surface and Volume Properties
  Accessible surface: 752.03  Positive charged surface: 485.071  Negative charged surface: 250.453  Volume: 476
  Hydrophobic surface: 390.09  Hydrophilic surface: 361.94
 
 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.