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ACROSORGANICS-ZINC01653217

 MMsINC code: MMs00010283
Type: Neutral
Formula: C9H18O
SMILES:   O=C(CCCC)CCCC
InChI:   InChI=1/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.3747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.242 g/mol  logS: -2.40103  SlogP: 2.9359  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0363136  Sterimol/B1: 2.37499  Sterimol/B2: 2.37608  Sterimol/B3: 2.48339
  Sterimol/B4: 3.33606  Sterimol/L: 14.7695 
 
 Surface and Volume Properties
  Accessible surface: 396.034  Positive charged surface: 304.203  Negative charged surface: 91.831  Volume: 173.5
  Hydrophobic surface: 322.407  Hydrophilic surface: 73.627
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.