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NCID-ZINC05351407

 MMsINC code: MMs02453987
Type: Neutral
Formula: C10H19N2+
SMILES:   [N+](\N=C/C1CCC=CC1)(C)(C)C
InChI:   InChI=1/C10H19N2/c1-12(2,3)11-9-10-7-5-4-6-8-10/h4-5,9-10H,6-8H2,1-3H3/q+1/b11-9-/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=120.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.276 g/mol  logS: -0.28749  SlogP: 2.0347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200642  Sterimol/B1: 2.29126  Sterimol/B2: 2.95043  Sterimol/B3: 4.43563
  Sterimol/B4: 5.02881  Sterimol/L: 10.9394 
 
 Surface and Volume Properties
  Accessible surface: 376.086  Positive charged surface: 311.688  Negative charged surface: 64.3985  Volume: 187.625
  Hydrophobic surface: 277.645  Hydrophilic surface: 98.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.