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PUBCHEM-ZINC05835909

 MMsINC code: MMs03407973
Type: Ionized
Formula: C13H29NO4P+
SMILES:   P(OCCC)(OCCC)(OCC[NH+]1CCCCC1)=O
InChI:   InChI=1/C13H28NO4P/c1-3-11-16-19(15,17-12-4-2)18-13-10-14-8-6-5-7-9-14/h3-13H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-25.2477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.352 g/mol  logS: -1.55155  SlogP: 0.9629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138841  Sterimol/B1: 2.21637  Sterimol/B2: 3.61589  Sterimol/B3: 4.44064
  Sterimol/B4: 9.41418  Sterimol/L: 13.6988 
 
 Surface and Volume Properties
  Accessible surface: 573.475  Positive charged surface: 471.191  Negative charged surface: 102.283  Volume: 299.875
  Hydrophobic surface: 485.529  Hydrophilic surface: 87.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 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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Parent related molecule:


MMs03407972
PUBCHEM-ZINC05835909