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PUBCHEM-ZINC05820487

 MMsINC code: MMs03399467
Type: Neutral
Formula: C17H32O2
SMILES:   OC(=O)CCCCCCCC1CC1CCCCCC
InChI:   InChI=1/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=10.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.441 g/mol  logS: -6.90655  SlogP: 5.4082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223912  Sterimol/B1: 2.28387  Sterimol/B2: 2.58389  Sterimol/B3: 3.59226
  Sterimol/B4: 5.14825  Sterimol/L: 24.1407 
 
 Surface and Volume Properties
  Accessible surface: 640.147  Positive charged surface: 501.772  Negative charged surface: 138.375  Volume: 316.125
  Hydrophobic surface: 500.396  Hydrophilic surface: 139.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03399468
PUBCHEM-ZINC05820487