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NCID-ZINC05923063

 MMsINC code: MMs02511436
Type: Neutral
Formula: C20H32O11
SMILES:   O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OCCCCCCO
InChI:   InChI=1/C20H32O11/c1-12(22)27-11-16-17(28-13(2)23)18(29-14(3)24)19(30-15(4)25)20(31-16)26-10-8-6-5-7-9-21/h16-21H,5-11H2,1-4H3/t16-,17+,18-,19-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=66.1189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.465 g/mol  logS: -2.17205  SlogP: 0.6388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138629  Sterimol/B1: 2.52849  Sterimol/B2: 3.86701  Sterimol/B3: 6.18903
  Sterimol/B4: 12.7719  Sterimol/L: 19.0248 
 
 Surface and Volume Properties
  Accessible surface: 770.141  Positive charged surface: 537.471  Negative charged surface: 232.67  Volume: 415.25
  Hydrophobic surface: 578.002  Hydrophilic surface: 192.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.