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PUBCHEM-ZINC05552672

 MMsINC code: MMs03305127
Type: Neutral
Formula: C7H13FO3
SMILES:   FCC(O)C(OCCCC)=O
InChI:   InChI=1/C7H13FO3/c1-2-3-4-11-7(10)6(9)5-8/h6,9H,2-5H2,1H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.176 g/mol  logS: -1.16406  SlogP: 0.6601  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0530662  Sterimol/B1: 2.7879  Sterimol/B2: 2.90567  Sterimol/B3: 3.0403
  Sterimol/B4: 4.08005  Sterimol/L: 12.7083 
 
 Surface and Volume Properties
  Accessible surface: 374.184  Positive charged surface: 256.32  Negative charged surface: 117.864  Volume: 157
  Hydrophobic surface: 233.079  Hydrophilic surface: 141.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.