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PUBCHEM-ZINC05113971

 MMsINC code: MMs03202057
Type: Neutral
Formula: C4H10NO4P
SMILES:   [PH](O)(=O)CCC(N)C(O)=O
InChI:   InChI=1/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=6.08322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.101 g/mol  logS: 0.48806  SlogP: -1.8148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107817  Sterimol/B1: 2.79477  Sterimol/B2: 3.17704  Sterimol/B3: 3.42047
  Sterimol/B4: 4.09489  Sterimol/L: 11.1679 
 
 Surface and Volume Properties
  Accessible surface: 337.018  Positive charged surface: 182.706  Negative charged surface: 154.312  Volume: 136.125
  Hydrophobic surface: 96.7007  Hydrophilic surface: 240.3173
 
 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.