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ACROSORGANICS-ZINC03873029

 MMsINC code: MMs00016187
Type: Neutral
Formula: C3H8NO5P
SMILES:   P(O)(O)(=O)CC(N)C(O)=O
InChI:   InChI=1/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-30.9159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.073 g/mol  logS: 1.39178  SlogP: -2.4942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134612  Sterimol/B1: 2.49466  Sterimol/B2: 2.53819  Sterimol/B3: 3.9129
  Sterimol/B4: 4.21576  Sterimol/L: 10.162 
 
 Surface and Volume Properties
  Accessible surface: 314.381  Positive charged surface: 174.388  Negative charged surface: 139.993  Volume: 123
  Hydrophobic surface: 47.5821  Hydrophilic surface: 266.7989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs00016188
ACROSORGANICS-ZINC03873029