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NCID-ZINC05431611

 MMsINC code: MMs02461088
Type: Neutral
Formula: C19H28O14
SMILES:   O1C(COC(OCC)=O)C(OC(OCC)=O)C(OC(OCC)=O)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C19H28O14/c1-6-25-17(22)28-9-12-13(32-18(23)26-7-2)14(33-19(24)27-8-3)15(29-10(4)20)16(31-12)30-11(5)21/h12-16H,6-9H2,1-5H3/t12-,13-,14+,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=51.4316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.419 g/mol  logS: -3.03041  SlogP: 1.4626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104103  Sterimol/B1: 2.93776  Sterimol/B2: 5.93728  Sterimol/B3: 7.5976
  Sterimol/B4: 8.91982  Sterimol/L: 20.2176 
 
 Surface and Volume Properties
  Accessible surface: 819.909  Positive charged surface: 557.897  Negative charged surface: 262.012  Volume: 416.75
  Hydrophobic surface: 545.086  Hydrophilic surface: 274.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.