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PUBCHEM-ZINC05131806

 MMsINC code: MMs03206700
Type: Neutral
Formula: C2H8NO4P
SMILES:   P(O)(O)(=O)C(N)CO
InChI:   InChI=1/C2H8NO4P/c3-2(1-4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.73091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.063 g/mol  logS: 1.70943  SlogP: -2.629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298735  Sterimol/B1: 2.86061  Sterimol/B2: 3.17342  Sterimol/B3: 3.93251
  Sterimol/B4: 4.21321  Sterimol/L: 8.46723 
 
 Surface and Volume Properties
  Accessible surface: 287.216  Positive charged surface: 197.202  Negative charged surface: 90.0135  Volume: 107.5
  Hydrophobic surface: 65.2411  Hydrophilic surface: 221.9749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.