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MDPI-ZINC03843334

 MMsINC code: MMs02176774
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-/m1/s1

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Potential Energy
Epot(MMFF94)=18.3302 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: 0.0685243  Sterimol/B1: 2.5738  Sterimol/B2: 3.15629  Sterimol/B3: 3.30492
  Sterimol/B4: 6.60161  Sterimol/L: 12.2686 
 
 Surface and Volume Properties
  Accessible surface: 424.189  Positive charged surface: 322.298  Negative charged surface: 101.891  Volume: 200.125
  Hydrophobic surface: 273.372  Hydrophilic surface: 150.817
 
 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


MMs02176775
MDPI-ZINC03843334