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IBS-ZINC01662274

 MMsINC code: MMs01771716
Type: Neutral
Formula: C12H30N2+2
SMILES:   [NH+](C(C(CC)C[NH+](C)C)CCC)(C)C
InChI:   InChI=1/C12H28N2/c1-7-9-12(14(5)6)11(8-2)10-13(3)4/h11-12H,7-10H2,1-6H3/p+2/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=52.6988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.386 g/mol  logS: -1.3005  SlogP: -0.5297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.371988  Sterimol/B1: 2.45033  Sterimol/B2: 3.83178  Sterimol/B3: 6.10254
  Sterimol/B4: 6.83776  Sterimol/L: 11.7221 
 
 Surface and Volume Properties
  Accessible surface: 479.276  Positive charged surface: 428.227  Negative charged surface: 51.0494  Volume: 258.875
  Hydrophobic surface: 340.344  Hydrophilic surface: 138.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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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Ions/Tautomers related molecules


MMs01771717
IBS-ZINC01662274