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APOLLO-ZINC04277424

 MMsINC code: MMs00057678
Type: Neutral
Formula: C20H33NP+
SMILES:   [P+](Cc1ccc(cc1)C#N)(CCCC)(CCCC)CCCC
InChI:   InChI=1/C20H33NP/c1-4-7-14-22(15-8-5-2,16-9-6-3)18-20-12-10-19(17-21)11-13-20/h10-13H,4-9,14-16,18H2,1-3H3/q+1

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Potential Energy
Epot(MMFF94)=37.9875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.465 g/mol  logS: -4.37279  SlogP: 6.74258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11474  Sterimol/B1: 2.37495  Sterimol/B2: 3.29589  Sterimol/B3: 3.58247
  Sterimol/B4: 12.8481  Sterimol/L: 17.0925 
 
 Surface and Volume Properties
  Accessible surface: 637.844  Positive charged surface: 428.206  Negative charged surface: 209.638  Volume: 368.25
  Hydrophobic surface: 487.369  Hydrophilic surface: 150.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.