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NCID-ZINC05327777

 MMsINC code: MMs02451135
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+/m0/s1

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Potential Energy
Epot(MMFF94)=87.6365 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: 0.265206  Sterimol/B1: 3.13519  Sterimol/B2: 3.83067  Sterimol/B3: 4.0338
  Sterimol/B4: 5.25885  Sterimol/L: 11.1468 
 
 Surface and Volume Properties
  Accessible surface: 407.134  Positive charged surface: 319.529  Negative charged surface: 87.6047  Volume: 225.875
  Hydrophobic surface: 321.037  Hydrophilic surface: 86.097
 
 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


MMs02451136
NCID-ZINC05327777