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NCID-ZINC01849854

 MMsINC code: MMs02371519
Type: Neutral
Formula: C30H26O8
SMILES:   O(C(=O)C)c1c2c(cc(cc2OC(=O)C)C)ccc1-c1ccc2c(c1OC(=O)C)c(OC(=
O)C)cc(c2)C
InChI:   InChI=1/C30H26O8/c1-15-11-21-7-9-23(29(37-19(5)33)27(21)25(13-15)35-17(3)31)24-10-8-22-12-16(2)14-26(36-18(4)32)28(22)30(24)38-20(6)34/h7-14H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 514.53 g/mol  logS: -9.92894  SlogP: 5.97804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202177  Sterimol/B1: 4.31923  Sterimol/B2: 5.05216  Sterimol/B3: 6.29757
  Sterimol/B4: 6.63206  Sterimol/L: 18.2506 
 
 Surface and Volume Properties
  Accessible surface: 715.771  Positive charged surface: 402.821  Negative charged surface: 303.526  Volume: 477.75
  Hydrophobic surface: 626.316  Hydrophilic surface: 89.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.