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PUBCHEM-ZINC05502263

 MMsINC code: MMs03289379
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-18.0979 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: 0.141061  Sterimol/B1: 3.01503  Sterimol/B2: 3.1298  Sterimol/B3: 3.35569
  Sterimol/B4: 4.23582  Sterimol/L: 10.663 
 
 Surface and Volume Properties
  Accessible surface: 313.416  Positive charged surface: 181.078  Negative charged surface: 132.338  Volume: 124.375
  Hydrophobic surface: 44.724  Hydrophilic surface: 268.692
 
 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


MMs03289380
PUBCHEM-ZINC05502263