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AURORAFEINCHEMIE-ZINC01570486

 MMsINC code: MMs00448565
Type: Neutral
Formula: C5H13N2O4P
SMILES:   P(O)(O)(=O)C(NC(=O)C(N)C)C
InChI:   InChI=1/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.71347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.143 g/mol  logS: 0.6799  SlogP: -2.0967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112429  Sterimol/B1: 2.96967  Sterimol/B2: 3.2577  Sterimol/B3: 3.5284
  Sterimol/B4: 4.89297  Sterimol/L: 11.345 
 
 Surface and Volume Properties
  Accessible surface: 378.142  Positive charged surface: 234.716  Negative charged surface: 143.426  Volume: 166.875
  Hydrophobic surface: 125.047  Hydrophilic surface: 253.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00448566
AURORAFEINCHEMIE-ZINC01570486