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NCID-ZINC01714626

 MMsINC code: MMs02340740
Type: Neutral
Formula: C10H16O4
SMILES:   OC(=O)C1CC(CCC1)CCC(O)=O
InChI:   InChI=1/C10H16O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=14.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.39499  SlogP: 1.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161731  Sterimol/B1: 2.5546  Sterimol/B2: 2.88038  Sterimol/B3: 4.09741
  Sterimol/B4: 5.11755  Sterimol/L: 12.6526 
 
 Surface and Volume Properties
  Accessible surface: 393.476  Positive charged surface: 274.388  Negative charged surface: 119.088  Volume: 190.5
  Hydrophobic surface: 216.326  Hydrophilic surface: 177.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02340741
NCID-ZINC01714626