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NCID-ZINC01759099

 MMsINC code: MMs02366371
Type: Tautomer
Formula: C8H24N3+3
SMILES:   [NH2+](CC([NH3+])(C)C)CC([NH3+])(C)C
InChI:   InChI=1/C8H21N3/c1-7(2,9)5-11-6-8(3,4)10/h11H,5-6,9-10H2,1-4H3/p+3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.35 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.301 g/mol  logS: 0.02413  SlogP: -2.4092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155648  Sterimol/B1: 2.21115  Sterimol/B2: 2.53128  Sterimol/B3: 4.21675
  Sterimol/B4: 4.59351  Sterimol/L: 12.4169 
 
 Surface and Volume Properties
  Accessible surface: 413.958  Positive charged surface: 349.148  Negative charged surface: 64.809  Volume: 200.875
  Hydrophobic surface: 226.101  Hydrophilic surface: 187.857
 
 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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MMs02366370
NCID-ZINC01759099