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NCID-ZINC05502157

 MMsINC code: MMs02468935
Type: Neutral
Formula: C3H8NO5P
SMILES:   P(O)(O)(=O)C(N)CC(O)=O
InChI:   InChI=1/C3H8NO5P/c4-2(1-3(5)6)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)=-17.5568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.073 g/mol  logS: 1.62913  SlogP: -2.1466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143389  Sterimol/B1: 2.89611  Sterimol/B2: 3.05708  Sterimol/B3: 3.27668
  Sterimol/B4: 4.28037  Sterimol/L: 10.2606 
 
 Surface and Volume Properties
  Accessible surface: 315.548  Positive charged surface: 186.661  Negative charged surface: 128.887  Volume: 126.5
  Hydrophobic surface: 46.0999  Hydrophilic surface: 269.4481
 
 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


MMs02468936
NCID-ZINC05502157