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NCID-ZINC05538592

 MMsINC code: MMs02470953
Type: Neutral
Formula: C18H34O2
SMILES:   O=C1C(CCCCCCCCCC1(C)C)(CCCO)C
InChI:   InChI=1/C18H34O2/c1-17(2)12-9-7-5-4-6-8-10-13-18(3,16(17)20)14-11-15-19/h19H,4-15H2,1-3H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=131.827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -4.52552  SlogP: 4.885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2903  Sterimol/B1: 2.70121  Sterimol/B2: 3.94155  Sterimol/B3: 4.92085
  Sterimol/B4: 7.49098  Sterimol/L: 13.0291 
 
 Surface and Volume Properties
  Accessible surface: 505.828  Positive charged surface: 390.125  Negative charged surface: 115.704  Volume: 318.75
  Hydrophobic surface: 408.28  Hydrophilic surface: 97.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.