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PUBCHEM-ZINC02572462

 MMsINC code: MMs02903138
Type: Neutral
Formula: C10H24N+
SMILES:   [N+](CCC)(CCC)(CCC)C
InChI:   InChI=1/C10H24N/c1-5-8-11(4,9-6-2)10-7-3/h5-10H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.309 g/mol  logS: -0.94499  SlogP: 2.663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201669  Sterimol/B1: 2.29949  Sterimol/B2: 3.27872  Sterimol/B3: 4.02216
  Sterimol/B4: 6.19522  Sterimol/L: 12.1454 
 
 Surface and Volume Properties
  Accessible surface: 398.369  Positive charged surface: 316.229  Negative charged surface: 82.1397  Volume: 200.125
  Hydrophobic surface: 301.627  Hydrophilic surface: 96.742
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.