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PUBCHEM-ZINC03733168

 MMsINC code: MMs03061960
Type: Neutral
Formula: C12H24N2
SMILES:   N1CCC(CC)C1CN1CCCCC1
InChI:   InChI=1/C12H24N2/c1-2-11-6-7-13-12(11)10-14-8-4-3-5-9-14/h11-13H,2-10H2,1H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=38.8427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.338 g/mol  logS: -1.27889  SlogP: 1.8604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116501  Sterimol/B1: 2.53605  Sterimol/B2: 2.93083  Sterimol/B3: 3.63618
  Sterimol/B4: 6.19604  Sterimol/L: 12.788 
 
 Surface and Volume Properties
  Accessible surface: 438.132  Positive charged surface: 374.688  Negative charged surface: 63.4436  Volume: 224.875
  Hydrophobic surface: 396.422  Hydrophilic surface: 41.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  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


MMs03061961
PUBCHEM-ZINC03733168