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ALFAAESAR-ZINC02509965

 MMsINC code: MMs00023246
Type: Neutral
Formula: C10H20O
SMILES:   OC(CCC)(CCC)CC=C
InChI:   InChI=1/C10H20O/c1-4-7-10(11,8-5-2)9-6-3/h4,11H,1,5-9H2,2-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.168  SlogP: 2.8938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170199  Sterimol/B1: 2.81557  Sterimol/B2: 3.76577  Sterimol/B3: 4.57932
  Sterimol/B4: 5.68497  Sterimol/L: 10.9645 
 
 Surface and Volume Properties
  Accessible surface: 396.482  Positive charged surface: 283.28  Negative charged surface: 113.202  Volume: 191
  Hydrophobic surface: 281.645  Hydrophilic surface: 114.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.