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NCID-ZINC05215278

 MMsINC code: MMs02449469
Type: Neutral
Formula: C15H28N2P+
SMILES:   [P+](NC(C)(C)C)(NC(C)(C)C)(C)c1ccccc1
InChI:   InChI=1/C15H28N2P/c1-14(2,3)16-18(7,17-15(4,5)6)13-11-9-8-10-12-13/h8-12,16-17H,1-7H3/q+1

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Potential Energy
Epot(MMFF94)=107.171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.377 g/mol  logS: -2.30306  SlogP: 3.5655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300746  Sterimol/B1: 3.34124  Sterimol/B2: 4.63274  Sterimol/B3: 5.01516
  Sterimol/B4: 5.234  Sterimol/L: 12.6511 
 
 Surface and Volume Properties
  Accessible surface: 487.346  Positive charged surface: 318.074  Negative charged surface: 169.271  Volume: 288.25
  Hydrophobic surface: 366.839  Hydrophilic surface: 120.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules: no related molecules available.