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ENAMINE-ZINC01243444

 MMsINC code: MMs01239372
Type: Neutral
Formula: C11H20N+
SMILES:   [N+]1(CC#C)(C)C(CCCC1C)C
InChI:   InChI=1/C11H20N/c1-5-9-12(4)10(2)7-6-8-11(12)3/h1,10-11H,6-9H2,2-4H3/q+1/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=69.4081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.288 g/mol  logS: -1.68527  SlogP: 2.02711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.424917  Sterimol/B1: 2.05323  Sterimol/B2: 2.68643  Sterimol/B3: 4.94099
  Sterimol/B4: 5.93146  Sterimol/L: 10.5503 
 
 Surface and Volume Properties
  Accessible surface: 367.61  Positive charged surface: 251.254  Negative charged surface: 116.356  Volume: 194.5
  Hydrophobic surface: 302.298  Hydrophilic surface: 65.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.