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NCID-ZINC04792502

 MMsINC code: MMs02406823
Type: Neutral
Formula: C14H31NOP+
SMILES:   [P+](CCCC)(CCCC)(CCCC)CC(=O)N
InChI:   InChI=1/C14H30NOP/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-14(15)16/h4-13H2,1-3H3,(H-,15,16)/p+1

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Potential Energy
Epot(MMFF94)=-6.99422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.382 g/mol  logS: -2.53252  SlogP: 3.8896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122441  Sterimol/B1: 2.42957  Sterimol/B2: 2.91419  Sterimol/B3: 3.66591
  Sterimol/B4: 10.6139  Sterimol/L: 15.1743 
 
 Surface and Volume Properties
  Accessible surface: 553.302  Positive charged surface: 409.959  Negative charged surface: 143.343  Volume: 298.625
  Hydrophobic surface: 403.019  Hydrophilic surface: 150.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.