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PUBCHEM-ZINC04098231

 MMsINC code: MMs03090876
Type: Neutral
Formula: C19H24O7
SMILES:   O1C2(CC(OC(=O)C(C)=C)C3C(OC(=O)C3=C)\C=C(/C)\C1(O)CC2O)C
InChI:   InChI=1/C19H24O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h6,12-15,20,23H,1,4,7-8H2,2-3,5H3/b10-6-/t12-,13-,14+,15+,18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=105.243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.394 g/mol  logS: -2.67592  SlogP: 1.1506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193188  Sterimol/B1: 3.27919  Sterimol/B2: 3.32148  Sterimol/B3: 5.22555
  Sterimol/B4: 7.30338  Sterimol/L: 13.9756 
 
 Surface and Volume Properties
  Accessible surface: 566.317  Positive charged surface: 335.106  Negative charged surface: 231.21  Volume: 333.75
  Hydrophobic surface: 326.419  Hydrophilic surface: 239.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.