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PUBCHEM-ZINC05840137

 MMsINC code: MMs03410309
Type: Neutral
Formula: C7H14N2-2
SMILES:   [NH-]C1(CCCCC1)C[NH-]
InChI:   InChI=1/C7H14N2/c8-6-7(9)4-2-1-3-5-7/h8-9H,1-6H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.7927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.203 g/mol  logS: -0.49318  SlogP: 1.2551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234271  Sterimol/B1: 2.70095  Sterimol/B2: 3.57475  Sterimol/B3: 3.93449
  Sterimol/B4: 4.05125  Sterimol/L: 9.92049 
 
 Surface and Volume Properties
  Accessible surface: 311.832  Positive charged surface: 232.867  Negative charged surface: 78.9651  Volume: 141.5
  Hydrophobic surface: 229.153  Hydrophilic surface: 82.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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: no related molecules available.