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NCID-ZINC01641288

 MMsINC code: MMs02283270
Type: Neutral
Formula: C8H16N2
SMILES:   N1CCNC12CCCCC2
InChI:   InChI=1/C8H16N2/c1-2-4-8(5-3-1)9-6-7-10-8/h9-10H,1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.36473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.23 g/mol  logS: -0.80036  SlogP: 0.8396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255173  Sterimol/B1: 3.22704  Sterimol/B2: 3.32393  Sterimol/B3: 3.59169
  Sterimol/B4: 3.80806  Sterimol/L: 9.91398 
 
 Surface and Volume Properties
  Accessible surface: 331.247  Positive charged surface: 284.01  Negative charged surface: 47.2368  Volume: 155.625
  Hydrophobic surface: 294  Hydrophilic surface: 37.247
 
 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


MMs02283271
NCID-ZINC01641288