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PUBCHEM-ZINC05830339

 MMsINC code: MMs03405182
Type: Neutral
Formula: C4H10NO8P
SMILES:   P(OCC(O)C(O)C(=O)NO)(O)(O)=O
InChI:   InChI=1/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.9071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.097 g/mol  logS: 1.14755  SlogP: -3.7473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732339  Sterimol/B1: 2.73425  Sterimol/B2: 3.4983  Sterimol/B3: 3.58007
  Sterimol/B4: 3.69523  Sterimol/L: 13.0422 
 
 Surface and Volume Properties
  Accessible surface: 398.126  Positive charged surface: 217.347  Negative charged surface: 180.778  Volume: 163.625
  Hydrophobic surface: 53.6301  Hydrophilic surface: 344.4959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03405183
PUBCHEM-ZINC05830339