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PUBCHEM-ZINC00343418

 MMsINC code: MMs02659700
Type: Neutral
Formula: C6H14NO2P
SMILES:   P(=O)(CC(=O)N)(CC)CC
InChI:   InChI=1/C6H14NO2P/c1-3-10(9,4-2)5-6(7)8/h3-5H2,1-2H3,(H2,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.43713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.157 g/mol  logS: -0.03524  SlogP: -0.1956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177685  Sterimol/B1: 2.43727  Sterimol/B2: 3.27177  Sterimol/B3: 3.31906
  Sterimol/B4: 6.59238  Sterimol/L: 10.3655 
 
 Surface and Volume Properties
  Accessible surface: 352.467  Positive charged surface: 232.102  Negative charged surface: 120.365  Volume: 160.625
  Hydrophobic surface: 190.476  Hydrophilic surface: 161.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.