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MDPI-ZINC03843335

 MMsINC code: MMs02176776
Type: Neutral
Formula: C10H16O5
SMILES:   O(C(=O)C1CCCCC1C(O)=O)CCO
InChI:   InChI=1/C10H16O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h7-8,11H,1-6H2,(H,12,13)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=18.3699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.88779  SlogP: 0.4129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853693  Sterimol/B1: 2.87308  Sterimol/B2: 3.34131  Sterimol/B3: 3.36893
  Sterimol/B4: 6.54585  Sterimol/L: 12.347 
 
 Surface and Volume Properties
  Accessible surface: 427.008  Positive charged surface: 321.748  Negative charged surface: 105.26  Volume: 201.25
  Hydrophobic surface: 274.671  Hydrophilic surface: 152.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02176777
MDPI-ZINC03843335