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NCID-ZINC05440356

 MMsINC code: MMs02463250
Type: Neutral
Formula: C19H36O4
SMILES:   O(C(=O)CCCCCCCCCCCCCCCCC(O)=O)C
InChI:   InChI=1/C19H36O4/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-17H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=1.97886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.493 g/mol  logS: -6.34457  SlogP: 5.4856  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00856947  Sterimol/B1: 2.37519  Sterimol/B2: 2.37555  Sterimol/B3: 2.6642
  Sterimol/B4: 3.63935  Sterimol/L: 29.2583 
 
 Surface and Volume Properties
  Accessible surface: 736.282  Positive charged surface: 599.077  Negative charged surface: 137.205  Volume: 367.125
  Hydrophobic surface: 592.015  Hydrophilic surface: 144.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02463251
NCID-ZINC05440356