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PUBCHEM-ZINC04095851

 MMsINC code: MMs03089578
Type: Neutral
Formula: C13H24O7
SMILES:   O1C(CO)C(O)C(O)C(O)C1OC(=O)CCCCCC
InChI:   InChI=1/C13H24O7/c1-2-3-4-5-6-9(15)20-13-12(18)11(17)10(16)8(7-14)19-13/h8,10-14,16-18H,2-7H2,1H3/t8-,10-,11+,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=58.8685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.328 g/mol  logS: -1.63077  SlogP: -0.7001  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0271148  Sterimol/B1: 2.6093  Sterimol/B2: 3.2768  Sterimol/B3: 4.94939
  Sterimol/B4: 5.42622  Sterimol/L: 18.1429 
 
 Surface and Volume Properties
  Accessible surface: 562.854  Positive charged surface: 439.136  Negative charged surface: 123.718  Volume: 275.375
  Hydrophobic surface: 337.125  Hydrophilic surface: 225.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03089579
PUBCHEM-ZINC04095851