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NCID-ZINC05664078

 MMsINC code: MMs02484854
Type: Neutral
Formula: C15H22O10
SMILES:   O1COC2C(OCOC2)C1C(OC(=O)C)C(OC(=O)C)COC(=O)C
InChI:   InChI=1/C15H22O10/c1-8(16)20-5-12(24-9(2)17)14(25-10(3)18)15-13-11(21-7-23-15)4-19-6-22-13/h11-15H,4-7H2,1-3H3/t11-,12+,13+,14+,15+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.331 g/mol  logS: -1.11637  SlogP: -0.4727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101201  Sterimol/B1: 3.85514  Sterimol/B2: 4.43507  Sterimol/B3: 4.89834
  Sterimol/B4: 7.15789  Sterimol/L: 15.1973 
 
 Surface and Volume Properties
  Accessible surface: 577.312  Positive charged surface: 391.823  Negative charged surface: 185.489  Volume: 310
  Hydrophobic surface: 403.842  Hydrophilic surface: 173.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.