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ACROSORGANICS-ZINC04023520

 MMsINC code: MMs00016518
Type: Neutral
Formula: C15H28O2
SMILES:   O1CCCCCCCCCCCCCCC1=O
InChI:   InChI=1/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.8093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.387 g/mol  logS: -5.27176  SlogP: 4.6145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191371  Sterimol/B1: 3.04806  Sterimol/B2: 3.50489  Sterimol/B3: 4.13172
  Sterimol/B4: 6.85719  Sterimol/L: 11.3881 
 
 Surface and Volume Properties
  Accessible surface: 463.238  Positive charged surface: 361.156  Negative charged surface: 102.082  Volume: 270.125
  Hydrophobic surface: 429.052  Hydrophilic surface: 34.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.