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PUBCHEM-ZINC06613563

 MMsINC code: MMs03818631
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)=-46.1733 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: 0.0918308  Sterimol/B1: 2.88633  Sterimol/B2: 3.2034  Sterimol/B3: 3.44664
  Sterimol/B4: 4.05961  Sterimol/L: 11.7907 
 
 Surface and Volume Properties
  Accessible surface: 376.134  Positive charged surface: 254.362  Negative charged surface: 121.772  Volume: 157.125
  Hydrophobic surface: 157.408  Hydrophilic surface: 218.726
 
 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


MMs03818632
PUBCHEM-ZINC06613563