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PUBCHEM-ZINC05410424

 MMsINC code: MMs03260266
Type: Ionized
Formula: C15H32N2O2+2
SMILES:   O=CCC[NH2+]CCCCCCCCC[NH2+]CCC=O
InChI:   InChI=1/C15H30N2O2/c18-14-8-12-16-10-6-4-2-1-3-5-7-11-17-13-9-15-19/h14-17H,1-13H2/p+2

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Potential Energy
Epot(MMFF94)=7.00209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.433 g/mol  logS: -1.25732  SlogP: 0.0219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0139731  Sterimol/B1: 2.13744  Sterimol/B2: 2.83805  Sterimol/B3: 2.84433
  Sterimol/B4: 3.3037  Sterimol/L: 24.557 
 
 Surface and Volume Properties
  Accessible surface: 648.632  Positive charged surface: 537.23  Negative charged surface: 111.402  Volume: 310.75
  Hydrophobic surface: 454.802  Hydrophilic surface: 193.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs03260265
PUBCHEM-ZINC05410424