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PUBCHEM-ZINC03074811

 MMsINC code: MMs02989851
Type: Neutral
Formula: C10H16O5
SMILES:   OC(=O)CCC(=O)CCCCCC(O)=O
InChI:   InChI=1/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=-5.73542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.233 g/mol  logS: -0.36001  SlogP: 1.4554  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0210599  Sterimol/B1: 2.375  Sterimol/B2: 2.37599  Sterimol/B3: 2.43699
  Sterimol/B4: 3.91105  Sterimol/L: 17.8047 
 
 Surface and Volume Properties
  Accessible surface: 458.007  Positive charged surface: 311.588  Negative charged surface: 146.419  Volume: 204.375
  Hydrophobic surface: 233.162  Hydrophilic surface: 224.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02989852
PUBCHEM-ZINC03074811