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APOLLO-ZINC01847502

 MMsINC code: MMs00050066
Type: Neutral
Formula: C6H11FO2
SMILES:   FCC(OCCCC)=O
InChI:   InChI=1/C6H11FO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.1044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.15 g/mol  logS: -1.3666  SlogP: 1.2992  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0490727  Sterimol/B1: 2.20739  Sterimol/B2: 2.37491  Sterimol/B3: 2.37578
  Sterimol/B4: 3.65748  Sterimol/L: 12.3645 
 
 Surface and Volume Properties
  Accessible surface: 334.645  Positive charged surface: 232.114  Negative charged surface: 102.531  Volume: 131.625
  Hydrophobic surface: 209.847  Hydrophilic surface: 124.798
 
 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.