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PUBCHEM-ZINC06067171

 MMsINC code: MMs03520106
Type: Neutral
Formula: C4H10NO4P
SMILES:   [PH](O)(=O)C(N)(CC(O)=O)C
InChI:   InChI=1/C4H10NO4P/c1-4(5,10(8)9)2-3(6)7/h10H,2,5H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=5.93128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.101 g/mol  logS: 0.42474  SlogP: -1.4672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314555  Sterimol/B1: 2.47754  Sterimol/B2: 3.55024  Sterimol/B3: 3.90891
  Sterimol/B4: 5.28309  Sterimol/L: 9.24022 
 
 Surface and Volume Properties
  Accessible surface: 319.372  Positive charged surface: 186.144  Negative charged surface: 133.228  Volume: 134.875
  Hydrophobic surface: 95.1039  Hydrophilic surface: 224.2681
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.