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PUBCHEM-ZINC05378211

 MMsINC code: MMs03251217
Type: Neutral
Formula: C4H10NO4P
SMILES:   [PH](OCCNC(=O)C)(O)=O
InChI:   InChI=1/C4H10NO4P/c1-4(6)5-2-3-9-10(7)8/h10H,2-3H2,1H3,(H,5,6)(H,7,8)

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Potential Energy
Epot(MMFF94)=-16.4624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.101 g/mol  logS: -0.05746  SlogP: -1.5491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.069473  Sterimol/B1: 2.57966  Sterimol/B2: 2.87331  Sterimol/B3: 3.14385
  Sterimol/B4: 4.80694  Sterimol/L: 11.4373 
 
 Surface and Volume Properties
  Accessible surface: 359.598  Positive charged surface: 208.148  Negative charged surface: 151.451  Volume: 138.125
  Hydrophobic surface: 193.521  Hydrophilic surface: 166.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.