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NCID-ZINC05721830

 MMsINC code: MMs02488901
Type: Ionized
Formula: C10H29N6O2+3
SMILES:   ON=[N+]([O-])N(CCCC[NH2+]CCC[NH3+])CCC[NH3+]
InChI:   InChI=1/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,17H,1-12H2/p+3/b16-14+

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Potential Energy
Epot(MMFF94)=48.1219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.382 g/mol  logS: 0.65986  SlogP: -2.8373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347443  Sterimol/B1: 2.44294  Sterimol/B2: 3.39036  Sterimol/B3: 5.17046
  Sterimol/B4: 5.36253  Sterimol/L: 18.0678 
 
 Surface and Volume Properties
  Accessible surface: 579.2  Positive charged surface: 501.7  Negative charged surface: 77.4996  Volume: 279.25
  Hydrophobic surface: 281.87  Hydrophilic surface: 297.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:


MMs02488900
NCID-ZINC05721830