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PUBCHEM-ZINC05133292

 MMsINC code: MMs03208208
Type: Neutral
Formula: C10H18N2
SMILES:   N(N)C1C2CC3CC1CC(C2)C3
InChI:   InChI=1/C10H18N2/c11-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10,12H,1-5,11H2/t6-,7+,8-,9+,10-

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Potential Energy
Epot(MMFF94)=43.8988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.268 g/mol  logS: -1.96287  SlogP: 1.2744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.44084  Sterimol/B1: 3.43468  Sterimol/B2: 3.52742  Sterimol/B3: 4.06054
  Sterimol/B4: 4.30134  Sterimol/L: 9.94867 
 
 Surface and Volume Properties
  Accessible surface: 351.275  Positive charged surface: 289.342  Negative charged surface: 61.9323  Volume: 174.5
  Hydrophobic surface: 271.389  Hydrophilic surface: 79.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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: no related molecules available.