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NCID-ZINC01703342

 MMsINC code: MMs02332408
Type: Neutral
Formula: C9H14O5
SMILES:   OC(=O)CCCC(=O)CCCC(O)=O
InChI:   InChI=1/C9H14O5/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h1-6H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=-1.02099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.206 g/mol  logS: 0.15521  SlogP: 1.0653  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0237623  Sterimol/B1: 2.37489  Sterimol/B2: 2.37575  Sterimol/B3: 3.10632
  Sterimol/B4: 3.14834  Sterimol/L: 16.4245 
 
 Surface and Volume Properties
  Accessible surface: 426.898  Positive charged surface: 285.771  Negative charged surface: 141.127  Volume: 186.375
  Hydrophobic surface: 202.155  Hydrophilic surface: 224.743
 
 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


MMs02332409
NCID-ZINC01703342