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SIAL-ZINC04798565

 MMsINC code: MMs03925803
Type: Neutral
Formula: C10H16O5
SMILES:   O1CCCC1COC(=O)C(OCCC)=O
InChI:   InChI=1/C10H16O5/c1-2-5-14-9(11)10(12)15-7-8-4-3-6-13-8/h8H,2-7H2,1H3/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -1.63088  SlogP: 0.6618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286083  Sterimol/B1: 3.00647  Sterimol/B2: 3.15778  Sterimol/B3: 3.2436
  Sterimol/B4: 3.7461  Sterimol/L: 16.7944 
 
 Surface and Volume Properties
  Accessible surface: 470.002  Positive charged surface: 343.602  Negative charged surface: 126.399  Volume: 207.25
  Hydrophobic surface: 338.535  Hydrophilic surface: 131.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.