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CHEMBRIDGE-ZINC00280376

 MMsINC code: MMs00600607
Type: Neutral
Formula: C14H28N2
SMILES:   N1(CCCCC1C)C1CCN(CC1)CCC
InChI:   InChI=1/C14H28N2/c1-3-9-15-11-7-14(8-12-15)16-10-5-4-6-13(16)2/h13-14H,3-12H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=23.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -1.54904  SlogP: 2.7352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114697  Sterimol/B1: 2.55893  Sterimol/B2: 4.17989  Sterimol/B3: 4.66075
  Sterimol/B4: 4.88963  Sterimol/L: 14.7125 
 
 Surface and Volume Properties
  Accessible surface: 483.531  Positive charged surface: 402.228  Negative charged surface: 81.3031  Volume: 259
  Hydrophobic surface: 439.592  Hydrophilic surface: 43.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00600608
CHEMBRIDGE-ZINC00280376