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NCID-ZINC05925012

 MMsINC code: MMs02511982
Type: Neutral
Formula: C14H24O7
SMILES:   O1C(OC2C3OC(OC3COC12C(O)CCO)(C)C)(C)C
InChI:   InChI=1/C14H24O7/c1-12(2)18-8-7-17-14(9(16)5-6-15)11(10(8)19-12)20-13(3,4)21-14/h8-11,15-16H,5-7H2,1-4H3/t8-,9+,10-,11+,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.339 g/mol  logS: -2.02367  SlogP: 0.1278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175017  Sterimol/B1: 2.35718  Sterimol/B2: 2.4373  Sterimol/B3: 5.96072
  Sterimol/B4: 7.37901  Sterimol/L: 14.0285 
 
 Surface and Volume Properties
  Accessible surface: 500.253  Positive charged surface: 360.728  Negative charged surface: 139.525  Volume: 280.25
  Hydrophobic surface: 308.895  Hydrophilic surface: 191.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.