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PUBCHEM-ZINC06046910

MMsINC code: MMs03513038

Type: Neutral
Formula: C8H15NO2
SMILES:   O(CC)C(=O)NC1CCCC1
InChI:   InChI=1/C8H15NO2/c1-2-11-8(10)9-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,9,10)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=-5.38903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.12306  SlogP: 1.6751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681861  Sterimol/B1: 2.56259  Sterimol/B2: 3.26665  Sterimol/B3: 3.49943
  Sterimol/B4: 3.84437  Sterimol/L: 13.0511 
 
 Surface and Volume Properties
  Accessible surface: 381.707  Positive charged surface: 291.526  Negative charged surface: 90.1812  Volume: 165.125
  Hydrophobic surface: 300.534  Hydrophilic surface: 81.173
 
 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.