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PUBCHEM-ZINC01851756

 MMsINC code: MMs02826006
Type: Neutral
Formula: C13H30N2O2+2
SMILES:   O(C(=O)CC([N+](C)(C)C)(C)C)CC[N+](C)(C)C
InChI:   InChI=1/C13H30N2O2/c1-13(2,15(6,7)8)11-12(16)17-10-9-14(3,4)5/h9-11H2,1-8H3/q+2

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Potential Energy
Epot(MMFF94)=132.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.395 g/mol  logS: -0.07007  SlogP: 1.1107  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105482  Sterimol/B1: 2.19221  Sterimol/B2: 2.8377  Sterimol/B3: 4.35823
  Sterimol/B4: 5.61902  Sterimol/L: 14.6573 
 
 Surface and Volume Properties
  Accessible surface: 492.356  Positive charged surface: 449.184  Negative charged surface: 43.1717  Volume: 273.125
  Hydrophobic surface: 344.508  Hydrophilic surface: 147.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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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Ions/Tautomers related molecules: no related molecules available.