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ACROSORGANICS-ZINC03873028

 MMsINC code: MMs00016186
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-/m0/s1

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Potential Energy
Epot(MMFF94)=-27.1189 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: 0.167071  Sterimol/B1: 2.4601  Sterimol/B2: 2.99979  Sterimol/B3: 3.80345
  Sterimol/B4: 3.98215  Sterimol/L: 9.9981 
 
 Surface and Volume Properties
  Accessible surface: 321.8  Positive charged surface: 189.945  Negative charged surface: 131.856  Volume: 126.125
  Hydrophobic surface: 46.8137  Hydrophilic surface: 274.9863
 
 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: no related molecules available.