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NCID-ZINC01681604

 MMsINC code: MMs02315478
Type: Neutral
Formula: C5H14NO+
SMILES:   O(C[N+](C)(C)C)C
InChI:   InChI=1/C5H14NO/c1-6(2,3)5-7-4/h5H2,1-4H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.44573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 104.173 g/mol  logS: 0.79381  SlogP: 0.2965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.30957  Sterimol/B1: 2.32741  Sterimol/B2: 2.43407  Sterimol/B3: 3.98654
  Sterimol/B4: 4.80953  Sterimol/L: 9.30613 
 
 Surface and Volume Properties
  Accessible surface: 298.829  Positive charged surface: 297.601  Negative charged surface: 1.22816  Volume: 125.375
  Hydrophobic surface: 243.938  Hydrophilic surface: 54.891
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.