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APOLLO-ZINC00154382

 MMsINC code: MMs00044483
Type: Tautomer
Formula: C12H28N3+3
SMILES:   [NH2+](C1CC[NH+](CC1)C)C1CC[NH+](CC1)C
InChI:   InChI=1/C12H25N3/c1-14-7-3-11(4-8-14)13-12-5-9-15(2)10-6-12/h11-13H,3-10H2,1-2H3/p+3

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Potential Energy
Epot(MMFF94)=42.5334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.377 g/mol  logS: -0.18485  SlogP: -3.096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918126  Sterimol/B1: 2.73367  Sterimol/B2: 3.19683  Sterimol/B3: 3.41585
  Sterimol/B4: 4.20005  Sterimol/L: 15.3408 
 
 Surface and Volume Properties
  Accessible surface: 474.587  Positive charged surface: 455.773  Negative charged surface: 18.8141  Volume: 248.25
  Hydrophobic surface: 367.33  Hydrophilic surface: 107.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 3
  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:


MMs00044482
APOLLO-ZINC00154382