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PUBCHEM-ZINC01995633

 MMsINC code: MMs02838821
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)C(N)(CC(O)=O)C
InChI:   InChI=1/C4H10NO5P/c1-4(5,2-3(6)7)11(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.26238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 1.12669  SlogP: -1.7565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254952  Sterimol/B1: 2.00581  Sterimol/B2: 3.52697  Sterimol/B3: 3.93381
  Sterimol/B4: 5.21302  Sterimol/L: 10.6403 
 
 Surface and Volume Properties
  Accessible surface: 329.386  Positive charged surface: 194.079  Negative charged surface: 135.307  Volume: 143.25
  Hydrophobic surface: 67.0896  Hydrophilic surface: 262.2964
 
 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


MMs02838822
PUBCHEM-ZINC01995633