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NCID-ZINC05103929

 MMsINC code: MMs02440274
Type: Ionized
Formula: C18H35O6-
SMILES:   OC(C(O)CCCCCCCC(=O)[O-])CC(O)C(O)CCCCC
InChI:   InChI=1/C18H36O6/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24)/p-1/t14-,15-,16+,17+/m1/s1

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Potential Energy
Epot(MMFF94)=38.2705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.472 g/mol  logS: -3.34597  SlogP: 0.881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130887  Sterimol/B1: 2.90992  Sterimol/B2: 3.07048  Sterimol/B3: 3.12085
  Sterimol/B4: 3.72613  Sterimol/L: 26.8374 
 
 Surface and Volume Properties
  Accessible surface: 721.772  Positive charged surface: 538.468  Negative charged surface: 183.304  Volume: 365.25
  Hydrophobic surface: 462.168  Hydrophilic surface: 259.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  Basic groups: 0
  Chiral centers: 4
 
 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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MMs02440273
NCID-ZINC05103929