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PUBCHEM-ZINC04202325

 MMsINC code: MMs03098709
Type: Neutral
Formula: C15H24O6
SMILES:   O(C(=O)C1(CC(CC(C1)(C(OC)=O)C)(C(OC)=O)C)C)C
InChI:   InChI=1/C15H24O6/c1-13(10(16)19-4)7-14(2,11(17)20-5)9-15(3,8-13)12(18)21-6/h7-9H2,1-6H3/t13-,14+,15-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.351 g/mol  logS: -1.44395  SlogP: 1.7082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.278691  Sterimol/B1: 2.18114  Sterimol/B2: 3.79412  Sterimol/B3: 5.56614
  Sterimol/B4: 8.18284  Sterimol/L: 13.9288 
 
 Surface and Volume Properties
  Accessible surface: 536.426  Positive charged surface: 424.041  Negative charged surface: 112.385  Volume: 288.625
  Hydrophobic surface: 418.168  Hydrophilic surface: 118.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.