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PUBCHEM-ZINC05851344

 MMsINC code: MMs03416914
Type: Neutral
Formula: C5H12NO6P
SMILES:   P(OCC1OC(N)C(O)C1)(O)(O)=O
InChI:   InChI=1/C5H12NO6P/c6-5-4(7)1-3(12-5)2-11-13(8,9)10/h3-5,7H,1-2,6H2,(H2,8,9,10)/t3-,4+,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-47.9869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.126 g/mol  logS: 0.96162  SlogP: -2.5399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939619  Sterimol/B1: 2.53644  Sterimol/B2: 2.70999  Sterimol/B3: 3.52152
  Sterimol/B4: 5.31403  Sterimol/L: 12.0154 
 
 Surface and Volume Properties
  Accessible surface: 402.617  Positive charged surface: 262.196  Negative charged surface: 140.421  Volume: 164.875
  Hydrophobic surface: 118.367  Hydrophilic surface: 284.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03416915
PUBCHEM-ZINC05851344