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PUBCHEM-ZINC06042301

 MMsINC code: MMs03509130
Type: Neutral
Formula: C7H15NO2
SMILES:   O(C(=O)NCCCCC)C
InChI:   InChI=1/C7H15NO2/c1-3-4-5-6-8-7(9)10-2/h3-6H2,1-2H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.2145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.202 g/mol  logS: -1.39935  SlogP: 1.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318436  Sterimol/B1: 2.37496  Sterimol/B2: 2.37571  Sterimol/B3: 2.71168
  Sterimol/B4: 3.08766  Sterimol/L: 14.4639 
 
 Surface and Volume Properties
  Accessible surface: 375.927  Positive charged surface: 304.943  Negative charged surface: 70.984  Volume: 158.625
  Hydrophobic surface: 284.157  Hydrophilic surface: 91.77
 
 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.