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NCID-ZINC05063643

 MMsINC code: MMs02435270
Type: Neutral
Formula: C19H26O13
SMILES:   O(C(C(OC(=O)C)C(OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C=O)C(=
O)C
InChI:   InChI=1/C19H26O13/c1-9(21)27-8-16(29-11(3)23)18(31-13(5)25)19(32-14(6)26)17(30-12(4)24)15(7-20)28-10(2)22/h7,15-19H,8H2,1-6H3/t15-,16-,17-,18-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=71.4611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.404 g/mol  logS: -2.11627  SlogP: -0.5931  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.403816  Sterimol/B1: 4.11293  Sterimol/B2: 4.89096  Sterimol/B3: 6.8186
  Sterimol/B4: 7.74482  Sterimol/L: 15.0363 
 
 Surface and Volume Properties
  Accessible surface: 711  Positive charged surface: 406.75  Negative charged surface: 304.25  Volume: 401.25
  Hydrophobic surface: 506.513  Hydrophilic surface: 204.487
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.