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PUBCHEM-ZINC01529861

 MMsINC code: MMs02813107
Type: Neutral
Formula: C3H10NO4P
SMILES:   P(OC(CN)C)(O)(O)=O
InChI:   InChI=1/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-61.6487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.09 g/mol  logS: 0.80585  SlogP: -1.6273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141342  Sterimol/B1: 2.13038  Sterimol/B2: 2.79181  Sterimol/B3: 2.82561
  Sterimol/B4: 5.77352  Sterimol/L: 9.29475 
 
 Surface and Volume Properties
  Accessible surface: 320.672  Positive charged surface: 210.458  Negative charged surface: 110.214  Volume: 125.25
  Hydrophobic surface: 102.422  Hydrophilic surface: 218.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02813108
PUBCHEM-ZINC01529861