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ALFAAESAR-ZINC05178634

 MMsINC code: MMs00025241
Type: Neutral
Formula: C20H38O4
SMILES:   OC(=O)CCCCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)

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Potential Energy
Epot(MMFF94)=-8.2477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.52 g/mol  logS: -6.96268  SlogP: 6.1774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00803512  Sterimol/B1: 2.37505  Sterimol/B2: 2.37597  Sterimol/B3: 2.83338
  Sterimol/B4: 3.72866  Sterimol/L: 30.2754 
 
 Surface and Volume Properties
  Accessible surface: 756.699  Positive charged surface: 589.661  Negative charged surface: 167.038  Volume: 384.25
  Hydrophobic surface: 560.617  Hydrophilic surface: 196.082
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00025242
ALFAAESAR-ZINC05178634