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ENAMINE-ZINC05855277

 MMsINC code: MMs01642613
Type: Neutral
Formula: C10H18N2
SMILES:   N(/N)=C\1/CC2CCC/1(C)C2(C)C
InChI:   InChI=1/C10H18N2/c1-9(2)7-4-5-10(9,3)8(6-7)12-11/h7H,4-6,11H2,1-3H3/b12-8-/t7-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=100.337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.268 g/mol  logS: -2.26596  SlogP: 2.1473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.543237  Sterimol/B1: 2.08618  Sterimol/B2: 2.64748  Sterimol/B3: 5.35713
  Sterimol/B4: 5.59406  Sterimol/L: 9.63501 
 
 Surface and Volume Properties
  Accessible surface: 353.273  Positive charged surface: 248.758  Negative charged surface: 104.516  Volume: 183.625
  Hydrophobic surface: 235.023  Hydrophilic surface: 118.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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.