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NCID-ZINC05395888

 MMsINC code: MMs02459238
Type: Neutral
Formula: C24H24O8
SMILES:   O(C(=O)C(c1ccccc1CC(OC)=O)c1ccccc1/C(=C\C(OC)=O)/C(OC)=O)C
InChI:   InChI=1/C24H24O8/c1-29-20(25)13-15-9-5-6-10-16(15)22(24(28)32-4)18-12-8-7-11-17(18)19(23(27)31-3)14-21(26)30-2/h5-12,14,22H,13H2,1-4H3/b19-14-/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.448 g/mol  logS: -5.21905  SlogP: 2.43637  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.465739  Sterimol/B1: 2.96836  Sterimol/B2: 6.26126  Sterimol/B3: 6.41487
  Sterimol/B4: 7.55954  Sterimol/L: 13.8943 
 
 Surface and Volume Properties
  Accessible surface: 655.235  Positive charged surface: 486.128  Negative charged surface: 169.107  Volume: 408.5
  Hydrophobic surface: 580.55  Hydrophilic surface: 74.685
 
 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.