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PUBCHEM-ZINC05378038

 MMsINC code: MMs03251139
Type: Neutral
Formula: C5H12NO4P
SMILES:   [PH](OCCN(C(=O)C)C)(O)=O
InChI:   InChI=1/C5H12NO4P/c1-5(7)6(2)3-4-10-11(8)9/h11H,3-4H2,1-2H3,(H,8,9)

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Potential Energy
Epot(MMFF94)=-3.60323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.128 g/mol  logS: 0.04853  SlogP: -1.2069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193311  Sterimol/B1: 2.79548  Sterimol/B2: 2.8377  Sterimol/B3: 4.44066
  Sterimol/B4: 4.69593  Sterimol/L: 10.8249 
 
 Surface and Volume Properties
  Accessible surface: 373.219  Positive charged surface: 233.456  Negative charged surface: 139.763  Volume: 157.625
  Hydrophobic surface: 234.596  Hydrophilic surface: 138.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.