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PUBCHEM-ZINC05760595

 MMsINC code: MMs03373983
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(OC)(OC)(=O)NC(C)C
InChI:   InChI=1/C5H14NO3P/c1-5(2)6-10(7,8-3)9-4/h5H,1-4H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-29.7715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.03691  SlogP: 0.3151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158521  Sterimol/B1: 2.2575  Sterimol/B2: 3.46596  Sterimol/B3: 3.88872
  Sterimol/B4: 5.73859  Sterimol/L: 9.3603 
 
 Surface and Volume Properties
  Accessible surface: 355.205  Positive charged surface: 264.129  Negative charged surface: 91.0762  Volume: 156
  Hydrophobic surface: 249.631  Hydrophilic surface: 105.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.