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PUBCHEM-ZINC05185098

 MMsINC code: MMs03221420
Type: Neutral
Formula: C15H26O4
SMILES:   O1CCC(CCCCCCCCCCC(O)=O)C1=O
InChI:   InChI=1/C15H26O4/c16-14(17)10-8-6-4-2-1-3-5-7-9-13-11-12-19-15(13)18/h13H,1-12H2,(H,16,17)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=5.92148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -3.99364  SlogP: 3.5351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203236  Sterimol/B1: 2.3938  Sterimol/B2: 2.64691  Sterimol/B3: 3.3113
  Sterimol/B4: 4.69289  Sterimol/L: 21.3429 
 
 Surface and Volume Properties
  Accessible surface: 580.309  Positive charged surface: 447.402  Negative charged surface: 132.907  Volume: 284.5
  Hydrophobic surface: 422.074  Hydrophilic surface: 158.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03221421
PUBCHEM-ZINC05185098