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PUBCHEM-ZINC05188844

 MMsINC code: MMs03221883
Type: Neutral
Formula: C16H26O6
SMILES:   O(C(=O)C(O)C(O)C(OC1CCCCC1)=O)C1CCCCC1
InChI:   InChI=1/C16H26O6/c17-13(15(19)21-11-7-3-1-4-8-11)14(18)16(20)22-12-9-5-2-6-10-12/h11-14,17-18H,1-10H2/t13-,14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.1167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.378 g/mol  logS: -2.94408  SlogP: 1.46  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481943  Sterimol/B1: 2.68304  Sterimol/B2: 3.1463  Sterimol/B3: 3.66013
  Sterimol/B4: 4.69991  Sterimol/L: 18.334 
 
 Surface and Volume Properties
  Accessible surface: 578.251  Positive charged surface: 428.2  Negative charged surface: 150.051  Volume: 305.125
  Hydrophobic surface: 452.821  Hydrophilic surface: 125.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.