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AURORAFEINCHEMIE-ZINC01570485

 MMsINC code: MMs00448563
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.43201 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: 0.127311  Sterimol/B1: 2.60859  Sterimol/B2: 3.25923  Sterimol/B3: 3.5754
  Sterimol/B4: 5.2654  Sterimol/L: 11.4165 
 
 Surface and Volume Properties
  Accessible surface: 379.728  Positive charged surface: 235.762  Negative charged surface: 143.966  Volume: 164.125
  Hydrophobic surface: 125.277  Hydrophilic surface: 254.451
 
 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


MMs00448564
AURORAFEINCHEMIE-ZINC01570485