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PUBCHEM-ZINC06360400

 MMsINC code: MMs03686117
Type: Neutral
Formula: C2H6NO4P
SMILES:   P(O\C=C/N)(O)(O)=O
InChI:   InChI=1/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-42.7776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.047 g/mol  logS: 1.21552  SlogP: -1.5446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867078  Sterimol/B1: 2.4756  Sterimol/B2: 2.74588  Sterimol/B3: 3.61233
  Sterimol/B4: 3.66932  Sterimol/L: 10.4235 
 
 Surface and Volume Properties
  Accessible surface: 290.78  Positive charged surface: 150.406  Negative charged surface: 140.374  Volume: 102.5
  Hydrophobic surface: 67.8363  Hydrophilic surface: 222.9437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.