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ACROSORGANICS-ZINC03870166

 MMsINC code: MMs00016148
Type: Neutral
Formula: C2H8NO4P
SMILES:   P(OCCN)(O)(O)=O
InChI:   InChI=1/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

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Potential Energy
Epot(MMFF94)=-64.3879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.063 g/mol  logS: 1.13306  SlogP: -2.0158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119775  Sterimol/B1: 2.51606  Sterimol/B2: 2.65716  Sterimol/B3: 3.45074
  Sterimol/B4: 3.67144  Sterimol/L: 9.56016 
 
 Surface and Volume Properties
  Accessible surface: 305.505  Positive charged surface: 204.596  Negative charged surface: 100.909  Volume: 110.125
  Hydrophobic surface: 86.3491  Hydrophilic surface: 219.1559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00016149
ACROSORGANICS-ZINC03870166