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NCID-ZINC04692602

 MMsINC code: MMs02394091
Type: Neutral
Formula: C18H26O11
SMILES:   O(C(C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(=O)CC)C(=O)C
InChI:   InChI=1/C18H26O11/c1-7-14(24)16(27-11(4)21)18(29-13(6)23)17(28-12(5)22)15(26-10(3)20)8-25-9(2)19/h15-18H,7-8H2,1-6H3/t15-,16-,17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=59.1229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.395 g/mol  logS: -2.20867  SlogP: 0.2554  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.370712  Sterimol/B1: 2.13412  Sterimol/B2: 4.5163  Sterimol/B3: 7.17696
  Sterimol/B4: 9.46558  Sterimol/L: 14.7843 
 
 Surface and Volume Properties
  Accessible surface: 685.473  Positive charged surface: 409.596  Negative charged surface: 275.876  Volume: 375.75
  Hydrophobic surface: 512.259  Hydrophilic surface: 173.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.