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PUBCHEM-ZINC05309331

 MMsINC code: MMs03236641
Type: Neutral
Formula: C7H15NO2
SMILES:   O(CCCC)C(=O)N(C)C
InChI:   InChI=1/C7H15NO2/c1-4-5-6-10-7(9)8(2)3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-5.81211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -0.77814  SlogP: 1.4847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374008  Sterimol/B1: 2.51256  Sterimol/B2: 2.51283  Sterimol/B3: 3.05205
  Sterimol/B4: 3.99276  Sterimol/L: 13.1752 
 
 Surface and Volume Properties
  Accessible surface: 377.84  Positive charged surface: 322.022  Negative charged surface: 55.8173  Volume: 160.5
  Hydrophobic surface: 319.032  Hydrophilic surface: 58.808
 
 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.