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APOLLO-ZINC02556213

 MMsINC code: MMs00053382
Type: Neutral
Formula: C15H26O3
SMILES:   O=C1CCCCCCCCCCC1CCC(O)=O
InChI:   InChI=1/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13(14)11-12-15(17)18/h13H,1-12H2,(H,17,18)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=118.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.37 g/mol  logS: -3.79874  SlogP: 3.9511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.420433  Sterimol/B1: 3.67835  Sterimol/B2: 4.7924  Sterimol/B3: 5.23076
  Sterimol/B4: 5.63621  Sterimol/L: 11.7239 
 
 Surface and Volume Properties
  Accessible surface: 461.484  Positive charged surface: 320.406  Negative charged surface: 141.078  Volume: 265.25
  Hydrophobic surface: 337.743  Hydrophilic surface: 123.741
 
 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


MMs00053383
APOLLO-ZINC02556213