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PUBCHEM-ZINC02014186

 MMsINC code: MMs02850945
Type: Neutral
Formula: C8H20N2
SMILES:   N(CC(C)C)CCCCN
InChI:   InChI=1/C8H20N2/c1-8(2)7-10-6-4-3-5-9/h8,10H,3-7,9H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.95262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.262 g/mol  logS: -0.18313  SlogP: 0.9709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460193  Sterimol/B1: 2.09595  Sterimol/B2: 2.5577  Sterimol/B3: 3.29677
  Sterimol/B4: 4.62757  Sterimol/L: 14.3532 
 
 Surface and Volume Properties
  Accessible surface: 408.176  Positive charged surface: 338.996  Negative charged surface: 69.1797  Volume: 177.375
  Hydrophobic surface: 290.037  Hydrophilic surface: 118.139
 
 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


MMs02850946
PUBCHEM-ZINC02014186