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PUBCHEM-ZINC05843285

 MMsINC code: MMs03412001
Type: Neutral
Formula: C7H14N2-2
SMILES:   [NH-]C1CCCCCC1[NH-]
InChI:   InChI=1/C7H14N2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2/q-2/t6-,7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.203 g/mol  logS: -0.49318  SlogP: 1.2535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299647  Sterimol/B1: 2.47862  Sterimol/B2: 3.25594  Sterimol/B3: 3.47308
  Sterimol/B4: 4.69656  Sterimol/L: 8.92458 
 
 Surface and Volume Properties
  Accessible surface: 311.861  Positive charged surface: 227.227  Negative charged surface: 84.6339  Volume: 140.875
  Hydrophobic surface: 216.874  Hydrophilic surface: 94.987
 
 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.