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NCID-ZINC01720068

 MMsINC code: MMs02345056
Type: Neutral
Formula: C9H19ClN+
SMILES:   ClC[N+](C)(C)C1CCCCC1
InChI:   InChI=1/C9H19ClN/c1-11(2,8-10)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.711 g/mol  logS: -1.29997  SlogP: 2.5918  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.243545  Sterimol/B1: 2.42465  Sterimol/B2: 2.5718  Sterimol/B3: 4.50806
  Sterimol/B4: 4.82425  Sterimol/L: 10.7069 
 
 Surface and Volume Properties
  Accessible surface: 361.484  Positive charged surface: 272.555  Negative charged surface: 88.9299  Volume: 186.5
  Hydrophobic surface: 264.523  Hydrophilic surface: 96.961
 
 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.