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NCID-ZINC01585359

 MMsINC code: MMs02241747
Type: Neutral
Formula: C11H24N+
SMILES:   [NH+]1(CCCCC1C)CC(C)(C)C
InChI:   InChI=1/C11H23N/c1-10-7-5-6-8-12(10)9-11(2,3)4/h10H,5-9H2,1-4H3/p+1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=25.8069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.32 g/mol  logS: -1.47792  SlogP: 1.4898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181602  Sterimol/B1: 2.28483  Sterimol/B2: 3.11768  Sterimol/B3: 3.31413
  Sterimol/B4: 6.4964  Sterimol/L: 11.5028 
 
 Surface and Volume Properties
  Accessible surface: 398.801  Positive charged surface: 319.281  Negative charged surface: 79.5201  Volume: 212.625
  Hydrophobic surface: 329.581  Hydrophilic surface: 69.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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


MMs02241748
NCID-ZINC01585359