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NCID-ZINC01572228

 MMsINC code: MMs02232052
Type: Neutral
Formula: C11H23N2+
SMILES:   [NH+](=C(\N1CCCCC1)/C)/C(C)(C)C
InChI:   InChI=1/C11H22N2/c1-10(12-11(2,3)4)13-8-6-5-7-9-13/h5-9H2,1-4H3/p+1/b12-10-

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Potential Energy
Epot(MMFF94)=27.2153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.319 g/mol  logS: -1.47064  SlogP: 0.7698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163758  Sterimol/B1: 2.01918  Sterimol/B2: 3.3104  Sterimol/B3: 3.837
  Sterimol/B4: 6.87414  Sterimol/L: 11.7757 
 
 Surface and Volume Properties
  Accessible surface: 415.707  Positive charged surface: 329.963  Negative charged surface: 85.7435  Volume: 219.5
  Hydrophobic surface: 349.088  Hydrophilic surface: 66.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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


MMs02232053
NCID-ZINC01572228