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PUBCHEM-ZINC05161468

 MMsINC code: MMs03216923
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)C)CN1CCCCC1
InChI:   InChI=1/C8H15NO2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.902892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.36361  SlogP: 0.9929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162107  Sterimol/B1: 2.7862  Sterimol/B2: 3.37248  Sterimol/B3: 4.18455
  Sterimol/B4: 4.25087  Sterimol/L: 11.5275 
 
 Surface and Volume Properties
  Accessible surface: 368.347  Positive charged surface: 286.009  Negative charged surface: 82.3382  Volume: 163.875
  Hydrophobic surface: 316.762  Hydrophilic surface: 51.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.