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NCID-ZINC04692439

 MMsINC code: MMs02394001
Type: Neutral
Formula: C2H6NO4P
SMILES:   P(O)(O)(=O)CC(=O)N
InChI:   InChI=1/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)

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Potential Energy
Epot(MMFF94)=-53.8267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.047 g/mol  logS: 0.80042  SlogP: -2.4208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178038  Sterimol/B1: 2.30461  Sterimol/B2: 2.74752  Sterimol/B3: 3.50185
  Sterimol/B4: 4.15438  Sterimol/L: 8.98365 
 
 Surface and Volume Properties
  Accessible surface: 280.518  Positive charged surface: 155.371  Negative charged surface: 125.147  Volume: 101.25
  Hydrophobic surface: 41.5232  Hydrophilic surface: 238.9948
 
 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.