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PUBCHEM-ZINC05113072

 MMsINC code: MMs03201457
Type: Neutral
Formula: C19H35IO2
SMILES:   I\C=C\CCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C19H35IO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h16,18H,1-15,17H2,(H,21,22)/b18-16+

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Potential Energy
Epot(MMFF94)=0.00305873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.391 g/mol  logS: -8.33069  SlogP: 7.3702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108053  Sterimol/B1: 2.53186  Sterimol/B2: 3.16157  Sterimol/B3: 3.21556
  Sterimol/B4: 3.68239  Sterimol/L: 29.4958 
 
 Surface and Volume Properties
  Accessible surface: 756.229  Positive charged surface: 514.209  Negative charged surface: 242.019  Volume: 383.75
  Hydrophobic surface: 648.546  Hydrophilic surface: 107.683
 
 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


MMs03201458
PUBCHEM-ZINC05113072