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PUBCHEM-ZINC04096869

 MMsINC code: MMs03090155
Type: Neutral
Formula: C2H8NO4P
SMILES:   P(O)(O)(=O)C(O)CN
InChI:   InChI=1/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.2289 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: 0.330981  Sterimol/B1: 2.87463  Sterimol/B2: 3.04901  Sterimol/B3: 3.94003
  Sterimol/B4: 3.97237  Sterimol/L: 8.56134 
 
 Surface and Volume Properties
  Accessible surface: 283.145  Positive charged surface: 185.118  Negative charged surface: 98.0272  Volume: 107.375
  Hydrophobic surface: 62.7757  Hydrophilic surface: 220.3693
 
 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.