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PUBCHEM-ZINC05840895

 MMsINC code: MMs03410723
Type: Neutral
Formula: C8H16N2-2
SMILES:   [NH-]C1CCCCCCC1[NH-]
InChI:   InChI=1/C8H16N2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2/q-2/t7-,8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.23 g/mol  logS: -1.0084  SlogP: 1.6436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.36997  Sterimol/B1: 2.27594  Sterimol/B2: 3.42784  Sterimol/B3: 3.77002
  Sterimol/B4: 4.48586  Sterimol/L: 9.20759 
 
 Surface and Volume Properties
  Accessible surface: 326.471  Positive charged surface: 229.625  Negative charged surface: 96.8462  Volume: 156.125
  Hydrophobic surface: 230.186  Hydrophilic surface: 96.285
 
 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.