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PUBCHEM-ZINC06491627

 MMsINC code: MMs03765248
Type: Neutral
Formula: C13H24N2
SMILES:   N(N)C(CC12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C13H24N2/c1-9(15-14)5-13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12,15H,2-8,14H2,1H3/t9-,10-,11+,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=81.1522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -4.44888  SlogP: 2.4447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.2524  Sterimol/B1: 2.48081  Sterimol/B2: 3.85469  Sterimol/B3: 3.94592
  Sterimol/B4: 5.11112  Sterimol/L: 10.9821 
 
 Surface and Volume Properties
  Accessible surface: 409.014  Positive charged surface: 327.153  Negative charged surface: 81.8607  Volume: 223.5
  Hydrophobic surface: 318.305  Hydrophilic surface: 90.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.