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ACROSORGANICS-ZINC03869509

 MMsINC code: MMs00016143
Type: Neutral
Formula: C2H8NO3P
SMILES:   P(O)(O)(=O)CCN
InChI:   InChI=1/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)

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Potential Energy
Epot(MMFF94)=-50.5972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.064 g/mol  logS: 1.38762  SlogP: -1.9474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148334  Sterimol/B1: 2.96382  Sterimol/B2: 3.24008  Sterimol/B3: 3.32108
  Sterimol/B4: 3.34437  Sterimol/L: 9.414 
 
 Surface and Volume Properties
  Accessible surface: 282.365  Positive charged surface: 186.726  Negative charged surface: 95.6389  Volume: 100.375
  Hydrophobic surface: 77.8787  Hydrophilic surface: 204.4863
 
 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


MMs00016144
ACROSORGANICS-ZINC03869509