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ALFAAESAR-ZINC02560493

 MMsINC code: MMs00023742
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCCCCCC(O)=O)CC
InChI:   InChI=1/C10H18O4/c1-2-14-10(13)8-6-4-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=-0.279958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.51958  SlogP: 1.9747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0212274  Sterimol/B1: 2.37491  Sterimol/B2: 2.3762  Sterimol/B3: 2.81072
  Sterimol/B4: 3.5851  Sterimol/L: 18.0179 
 
 Surface and Volume Properties
  Accessible surface: 465.209  Positive charged surface: 339.698  Negative charged surface: 125.51  Volume: 206.75
  Hydrophobic surface: 303.706  Hydrophilic surface: 161.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00023743
ALFAAESAR-ZINC02560493