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ACROSORGANICS-ZINC01586746

 MMsINC code: MMs00009578
Type: Neutral
Formula: C7H14O2
SMILES:   O(C(=O)CC)CCCC
InChI:   InChI=1/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.91434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.187 g/mol  logS: -1.25204  SlogP: 1.7397  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0397037  Sterimol/B1: 2.37501  Sterimol/B2: 2.37576  Sterimol/B3: 2.51871
  Sterimol/B4: 3.3971  Sterimol/L: 13.3571 
 
 Surface and Volume Properties
  Accessible surface: 359.593  Positive charged surface: 267.451  Negative charged surface: 92.1421  Volume: 146.125
  Hydrophobic surface: 274.227  Hydrophilic surface: 85.366
 
 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.