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NCID-ZINC01714625

 MMsINC code: MMs02340738
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+/m0/s1

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Potential Energy
Epot(MMFF94)=14.9882 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: 0.189841  Sterimol/B1: 2.32895  Sterimol/B2: 2.42745  Sterimol/B3: 4.62124
  Sterimol/B4: 5.13602  Sterimol/L: 12.6067 
 
 Surface and Volume Properties
  Accessible surface: 390.575  Positive charged surface: 266.263  Negative charged surface: 124.312  Volume: 189.5
  Hydrophobic surface: 202.891  Hydrophilic surface: 187.684
 
 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


MMs02340739
NCID-ZINC01714625