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IBS-ZINC02129388

 MMsINC code: MMs01792300
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(O)(=O)(CCCN)CCC(O)=O
InChI:   InChI=1/C6H14NO4P/c7-3-1-4-12(10,11)5-2-6(8)9/h1-5,7H2,(H,8,9)(H,10,11)

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Potential Energy
Epot(MMFF94)=-9.82056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: 1.21747  SlogP: -0.9899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0532478  Sterimol/B1: 3.19575  Sterimol/B2: 3.20451  Sterimol/B3: 3.38947
  Sterimol/B4: 3.48559  Sterimol/L: 14.5766 
 
 Surface and Volume Properties
  Accessible surface: 397.758  Positive charged surface: 273.817  Negative charged surface: 123.941  Volume: 175.375
  Hydrophobic surface: 164.627  Hydrophilic surface: 233.131
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs01792301
IBS-ZINC02129388