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NCID-ZINC05063554

 MMsINC code: MMs02435203
Type: Neutral
Formula: C17H26O12
SMILES:   O1COC(COC(=O)C)C(OCOC(=O)C)C1C(OCOC(=O)C)COC(=O)C
InChI:   InChI=1/C17H26O12/c1-10(18)22-5-14(26-7-24-12(3)20)17-16(28-8-25-13(4)21)15(27-9-29-17)6-23-11(2)19/h14-17H,5-9H2,1-4H3/t14-,15+,16+,17+/m1/s1

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Potential Energy
Epot(MMFF94)=104.265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.383 g/mol  logS: -1.08856  SlogP: -0.3343  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137447  Sterimol/B1: 3.03426  Sterimol/B2: 3.54951  Sterimol/B3: 4.73842
  Sterimol/B4: 9.15267  Sterimol/L: 16.7403 
 
 Surface and Volume Properties
  Accessible surface: 676.921  Positive charged surface: 449.592  Negative charged surface: 227.329  Volume: 369.125
  Hydrophobic surface: 482.086  Hydrophilic surface: 194.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 8  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.