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PUBCHEM-ZINC05113069

 MMsINC code: MMs03201455
Type: Neutral
Formula: C18H32O4
SMILES:   OC(=O)CCCCCCCCCCCCCC\C=C\C(O)=O
InChI:   InChI=1/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h13,15H,1-12,14,16H2,(H,19,20)(H,21,22)/b15-13+

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Potential Energy
Epot(MMFF94)=-2.81503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.45 g/mol  logS: -6.03452  SlogP: 5.1732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129178  Sterimol/B1: 2.57546  Sterimol/B2: 2.70107  Sterimol/B3: 3.19705
  Sterimol/B4: 3.75347  Sterimol/L: 27.225 
 
 Surface and Volume Properties
  Accessible surface: 693.703  Positive charged surface: 512.146  Negative charged surface: 181.557  Volume: 339.875
  Hydrophobic surface: 481.189  Hydrophilic surface: 212.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03201456
PUBCHEM-ZINC05113069