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PUBCHEM-ZINC02000415

 MMsINC code: MMs02842720
Type: Neutral
Formula: C10H24N2
SMILES:   NC(CCCCCCC(N)C)C
InChI:   InChI=1/C10H24N2/c1-9(11)7-5-3-4-6-8-10(2)12/h9-10H,3-8,11-12H2,1-2H3/t9-,10+

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Potential Energy
Epot(MMFF94)=-2.00976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -1.4652  SlogP: 2.0214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329014  Sterimol/B1: 2.68642  Sterimol/B2: 2.83182  Sterimol/B3: 2.83476
  Sterimol/B4: 4.17118  Sterimol/L: 15.9711 
 
 Surface and Volume Properties
  Accessible surface: 455.646  Positive charged surface: 372.383  Negative charged surface: 83.2628  Volume: 210.875
  Hydrophobic surface: 309.134  Hydrophilic surface: 146.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02842721
PUBCHEM-ZINC02000415