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PUBCHEM-ZINC04102330

 MMsINC code: MMs03091816
Type: Neutral
Formula: C18H34O2
SMILES:   OC(=O)CCCCCCCCCCC1CCCCCC1
InChI:   InChI=1/C18H34O2/c19-18(20)16-12-6-4-2-1-3-5-9-13-17-14-10-7-8-11-15-17/h17H,1-16H2,(H,19,20)

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Potential Energy
Epot(MMFF94)=21.7234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -7.42177  SlogP: 5.9424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221779  Sterimol/B1: 2.66796  Sterimol/B2: 2.73121  Sterimol/B3: 3.77329
  Sterimol/B4: 5.20147  Sterimol/L: 22.3617 
 
 Surface and Volume Properties
  Accessible surface: 627.25  Positive charged surface: 498.793  Negative charged surface: 128.457  Volume: 323.125
  Hydrophobic surface: 526.703  Hydrophilic surface: 100.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03091817
PUBCHEM-ZINC04102330