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NCID-ZINC05351410

 MMsINC code: MMs02453988
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-/m1/s1

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Potential Energy
Epot(MMFF94)=120.906 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: 0.203782  Sterimol/B1: 2.53353  Sterimol/B2: 2.553  Sterimol/B3: 4.69472
  Sterimol/B4: 4.91328  Sterimol/L: 10.9356 
 
 Surface and Volume Properties
  Accessible surface: 375.679  Positive charged surface: 312.115  Negative charged surface: 63.564  Volume: 188.5
  Hydrophobic surface: 275.916  Hydrophilic surface: 99.763
 
 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.