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ACROSORGANICS-ZINC03880972

 MMsINC code: MMs00016291
Type: Neutral
Formula: C24H52N+
SMILES:   [N+](CCCCCC)(CCCCCC)(CCCCCC)CCCCCC
InChI:   InChI=1/C24H52N/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h5-24H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.687 g/mol  logS: -7.65661  SlogP: 8.1244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734553  Sterimol/B1: 2.35209  Sterimol/B2: 2.92735  Sterimol/B3: 2.99869
  Sterimol/B4: 16.8629  Sterimol/L: 19.2155 
 
 Surface and Volume Properties
  Accessible surface: 807.185  Positive charged surface: 653.753  Negative charged surface: 153.432  Volume: 448.375
  Hydrophobic surface: 699.441  Hydrophilic surface: 107.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.