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PUBCHEM-ZINC06613562

 MMsINC code: MMs03818629
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(OCC1NCCC1O)(O)(O)=O
InChI:   InChI=1/C5H12NO5P/c7-5-1-2-6-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-46.2215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 0.90941  SlogP: -2.2517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115757  Sterimol/B1: 3.16442  Sterimol/B2: 3.24805  Sterimol/B3: 3.54089
  Sterimol/B4: 3.70235  Sterimol/L: 11.8215 
 
 Surface and Volume Properties
  Accessible surface: 373.841  Positive charged surface: 257.668  Negative charged surface: 116.173  Volume: 157.5
  Hydrophobic surface: 160.397  Hydrophilic surface: 213.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03818630
PUBCHEM-ZINC06613562