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PUBCHEM-ZINC05820485

 MMsINC code: MMs03399463
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)=12.22 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: 0.0189773  Sterimol/B1: 2.48777  Sterimol/B2: 2.68948  Sterimol/B3: 3.34212
  Sterimol/B4: 7.43405  Sterimol/L: 22.1815 
 
 Surface and Volume Properties
  Accessible surface: 629.48  Positive charged surface: 493.55  Negative charged surface: 135.93  Volume: 312.875
  Hydrophobic surface: 489.846  Hydrophilic surface: 139.634
 
 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


MMs03399464
PUBCHEM-ZINC05820485