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ALFAAESAR-ZINC01696858

 MMsINC code: MMs00021953
Type: Neutral
Formula: C11H20O2
SMILES:   O(C(C)C)C(=O)CC1CCCCC1
InChI:   InChI=1/C11H20O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.8811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.279 g/mol  logS: -3.33632  SlogP: 2.9084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0909671  Sterimol/B1: 2.23124  Sterimol/B2: 3.4346  Sterimol/B3: 4.42961
  Sterimol/B4: 4.65174  Sterimol/L: 13.3075 
 
 Surface and Volume Properties
  Accessible surface: 428.753  Positive charged surface: 323.204  Negative charged surface: 105.549  Volume: 205
  Hydrophobic surface: 358.864  Hydrophilic surface: 69.889
 
 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.