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PUBCHEM-ZINC05553064

 MMsINC code: MMs03305220
Type: Ionized
Formula: C15H33NO4P+
SMILES:   P(OCCCC)(OCCCC)(OCC[NH+]1CCCCC1)=O
InChI:   InChI=1/C15H32NO4P/c1-3-5-13-18-21(17,19-14-6-4-2)20-15-12-16-10-8-7-9-11-16/h3-15H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-25.6836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.406 g/mol  logS: -2.58199  SlogP: 1.7431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12037  Sterimol/B1: 2.14259  Sterimol/B2: 4.0105  Sterimol/B3: 4.19489
  Sterimol/B4: 11.3708  Sterimol/L: 14.4789 
 
 Surface and Volume Properties
  Accessible surface: 636.36  Positive charged surface: 528.183  Negative charged surface: 108.178  Volume: 333.125
  Hydrophobic surface: 551.415  Hydrophilic surface: 84.945
 
 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:


MMs03305219
PUBCHEM-ZINC05553064