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PUBCHEM-ZINC03593791

 MMsINC code: MMs03018238
Type: Neutral
Formula: C6H12N2-2
SMILES:   [NH-]C1CCCCC1[NH-]
InChI:   InChI=1/C6H12N2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/q-2/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=51.0338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 112.176 g/mol  logS: 0.02204  SlogP: 0.8634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257731  Sterimol/B1: 2.57637  Sterimol/B2: 3.08643  Sterimol/B3: 3.23743
  Sterimol/B4: 4.67266  Sterimol/L: 8.15751 
 
 Surface and Volume Properties
  Accessible surface: 291.958  Positive charged surface: 211.495  Negative charged surface: 80.463  Volume: 126.5
  Hydrophobic surface: 191.977  Hydrophilic surface: 99.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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: no related molecules available.