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PUBCHEM-ZINC05157176

 MMsINC code: MMs03213631
Type: Neutral
Formula: C5H10NO6P
SMILES:   P(OC1CC(NC1)C(O)=O)(O)(O)=O
InChI:   InChI=1/C5H10NO6P/c7-5(8)4-1-3(2-6-4)12-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H2,9,10,11)/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-42.9994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.11 g/mol  logS: 0.71103  SlogP: -2.1594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829856  Sterimol/B1: 2.62128  Sterimol/B2: 2.96864  Sterimol/B3: 3.22869
  Sterimol/B4: 4.63092  Sterimol/L: 12.145 
 
 Surface and Volume Properties
  Accessible surface: 375.944  Positive charged surface: 227.038  Negative charged surface: 148.905  Volume: 159.125
  Hydrophobic surface: 108.26  Hydrophilic surface: 267.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs03213632
PUBCHEM-ZINC05157176