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PUBCHEM-ZINC05411114

 MMsINC code: MMs03260374
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(O)(O)(=O)C(N)CCCC(O)=O
InChI:   InChI=1/C5H12NO5P/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-11.7269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.22559  SlogP: -1.3664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917289  Sterimol/B1: 2.7848  Sterimol/B2: 3.53563  Sterimol/B3: 3.93668
  Sterimol/B4: 3.94593  Sterimol/L: 11.745 
 
 Surface and Volume Properties
  Accessible surface: 368.145  Positive charged surface: 232.903  Negative charged surface: 135.242  Volume: 161.125
  Hydrophobic surface: 99.1941  Hydrophilic surface: 268.9509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs03260375
PUBCHEM-ZINC05411114