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ASINEX-ZINC05002949

 MMsINC code: MMs00432415
Type: Neutral
Formula: C21H49N3P+
SMILES:   [P+](N(CCC)CCC)(N(CCC)CCC)(N(CCC)CCC)CCC
InChI:   InChI=1/C21H49N3P/c1-8-15-22(16-9-2)25(21-14-7,23(17-10-3)18-11-4)24(19-12-5)20-13-6/h8-21H2,1-7H3/q+1

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Potential Energy
Epot(MMFF94)=35.7845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.618 g/mol  logS: -2.14283  SlogP: 6.525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.607057  Sterimol/B1: 2.84307  Sterimol/B2: 5.49947  Sterimol/B3: 7.07444
  Sterimol/B4: 9.05513  Sterimol/L: 12.7355 
 
 Surface and Volume Properties
  Accessible surface: 683.41  Positive charged surface: 504.721  Negative charged surface: 178.69  Volume: 440.25
  Hydrophobic surface: 532.464  Hydrophilic surface: 150.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.