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NCID-ZINC01671219

 MMsINC code: MMs02307209
Type: Ionized
Formula: C11H26N2O+2
SMILES:   OC1C(CCC1C[NH+](C)C)C[NH+](C)C
InChI:   InChI=1/C11H24N2O/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4/h9-11,14H,5-8H2,1-4H3/p+2/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=40.8703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.342 g/mol  logS: 0.15996  SlogP: -2.3375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098683  Sterimol/B1: 2.91948  Sterimol/B2: 2.92561  Sterimol/B3: 3.94082
  Sterimol/B4: 4.30569  Sterimol/L: 14.1566 
 
 Surface and Volume Properties
  Accessible surface: 461.586  Positive charged surface: 439.1  Negative charged surface: 22.4859  Volume: 238.125
  Hydrophobic surface: 323.622  Hydrophilic surface: 137.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs02307208
NCID-ZINC01671219