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PUBCHEM-ZINC06795786

 MMsINC code: MMs03863175
Type: Ionized
Formula: C15H32N2+2
SMILES:   [NH3+]C1CC(C)C(CC1)CC1CCC([NH3+])CC1C
InChI:   InChI=1/C15H30N2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h10-15H,3-9,16-17H2,1-2H3/p+2/t10-,11-,12-,13+,14-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.435 g/mol  logS: -3.16154  SlogP: 1.4699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124824  Sterimol/B1: 2.11339  Sterimol/B2: 3.9788  Sterimol/B3: 4.12936
  Sterimol/B4: 6.80425  Sterimol/L: 14.4468 
 
 Surface and Volume Properties
  Accessible surface: 494.935  Positive charged surface: 428.394  Negative charged surface: 66.541  Volume: 283.375
  Hydrophobic surface: 339.591  Hydrophilic surface: 155.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 6
 
 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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Parent related molecule:


MMs03863174
PUBCHEM-ZINC06795786