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NCID-ZINC05463092

 MMsINC code: MMs02464376
Type: Neutral
Formula: C20H24O6
SMILES:   O1C2C(C(=C)C1=O)C(O)C(OC(=O)\C(=C\C)\C)C(C1C2C(=CC1=O)C)C
InChI:   InChI=1/C20H24O6/c1-6-8(2)19(23)25-17-10(4)14-12(21)7-9(3)13(14)18-15(16(17)22)11(5)20(24)26-18/h6-7,10,13-18,22H,5H2,1-4H3/b8-6+/t10-,13+,14+,15-,16+,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=143.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.406 g/mol  logS: -2.84081  SlogP: 1.7342  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0766814  Sterimol/B1: 2.71618  Sterimol/B2: 4.37761  Sterimol/B3: 5.69514
  Sterimol/B4: 5.7412  Sterimol/L: 16.1454 
 
 Surface and Volume Properties
  Accessible surface: 573.847  Positive charged surface: 340.596  Negative charged surface: 233.251  Volume: 339.125
  Hydrophobic surface: 377.036  Hydrophilic surface: 196.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 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.