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AURORAFEINCHEMIE-ZINC04083044

 MMsINC code: MMs00467421
Type: Neutral
Formula: C15H28N2+2
SMILES:   [NH+]12C3C(CCCC3C[NH+]3C1CCCC3)CCC2
InChI:   InChI=1/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/p+2/t12-,13-,14-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=3.73192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.403 g/mol  logS: -1.8939  SlogP: -0.1415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134302  Sterimol/B1: 2.73958  Sterimol/B2: 3.69123  Sterimol/B3: 4.16769
  Sterimol/B4: 4.97831  Sterimol/L: 12.4593 
 
 Surface and Volume Properties
  Accessible surface: 445.62  Positive charged surface: 396.867  Negative charged surface: 48.7535  Volume: 261.125
  Hydrophobic surface: 417.876  Hydrophilic surface: 27.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 4
 
 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


MMs00467422
AURORAFEINCHEMIE-ZINC04083044