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IBS-ZINC01835664

 MMsINC code: MMs01778450
Type: Neutral
Formula: C13H28NO3P
SMILES:   P(OCCCCC)(OCCN1CCCCC1)(=O)C
InChI:   InChI=1/C13H28NO3P/c1-3-4-8-12-16-18(2,15)17-13-11-14-9-6-5-7-10-14/h3-13H2,1-2H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=18.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.345 g/mol  logS: -1.82284  SlogP: 2.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128834  Sterimol/B1: 2.58422  Sterimol/B2: 3.66369  Sterimol/B3: 4.10941
  Sterimol/B4: 8.60092  Sterimol/L: 14.7072 
 
 Surface and Volume Properties
  Accessible surface: 571.621  Positive charged surface: 450.155  Negative charged surface: 121.466  Volume: 286.875
  Hydrophobic surface: 485.846  Hydrophilic surface: 85.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs01778451
IBS-ZINC01835664